ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide

C38H50N14O5 — CID 159428522

IUPACethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide
SMILESC=CCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1.CCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1.CCO
InChIInChI=1S/C18H23N7O2.C18H21N7O2.C2H6O/c2*1-5-9-24-10-13(18(23-24)27-4)17(26)21-15-8-6-7-14(20-15)16-22-19-11-25(16)12(2)3;1-2-3/h6-8,10-12H,5,9H2,1-4H3,(H,20,21,26);5-8,10-12H,1,9H2,2-4H3,(H,20,21,26);3H,2H2,1H3
InChIKeyLQRKISPSCSMXRA-UHFFFAOYSA-N
MW782.91 g/mol
LogP5.35
Rot. Bonds14

About ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide

ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide (PubChem CID 159428522) has the molecular formula C38H50N14O5 and a molecular weight of 782.91 g/mol. Its IUPAC name is ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Nameethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide
PubChem CID159428522
Molecular FormulaC38H50N14O5
Molecular Weight782.91 g/mol
Exact Mass782.41
IUPAC Nameethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide
SMILESC=CCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1.CCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1.CCO
InChIInChI=1S/C18H23N7O2.C18H21N7O2.C2H6O/c2*1-5-9-24-10-13(18(23-24)27-4)17(26)21-15-8-6-7-14(20-15)16-22-19-11-25(16)12(2)3;1-2-3/h6-8,10-12H,5,9H2,1-4H3,(H,20,21,26);5-8,10-12H,1,9H2,2-4H3,(H,20,21,26);3H,2H2,1H3
InChIKeyLQRKISPSCSMXRA-UHFFFAOYSA-N
XLogP5.35
TPSA219.73 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.91
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-methoxy-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide
CID 146027049
3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrazole-4-carboxamide
CID 146381559
3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381268
3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381271
1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381276
N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381283
N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381286
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 146381295
3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 146381344
1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381346
3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381369
3-methoxy-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381371

Frequently Asked Questions

What is the IUPAC name of ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide (CID 159428522) is ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide is C=CCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1.CCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1.CCO.
What is the InChIKey of ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is LQRKISPSCSMXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2.C18H21N7O2.C2H6O/c2*1-5-9-24-10-13(18(23-24)27-4)17(26)21-15-8-6-7-14(20-15)16-22-19-11-25(16)12(2)3;1-2-3/h6-8,10-12H,5,9H2,1-4H3,(H,20,21,26);5-8,10-12H,1,9H2,2-4H3,(H,20,21,26);3H,2H2,1H3.
What are the key properties of ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide?
ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 782.91 g/mol, XLogP of 5.35, 14 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-prop-2-enylpyrazole-4-carboxamide;3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 159428522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).