1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

C17H21N7O2 — CID 146381276

IUPAC1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1
InChIInChI=1S/C17H21N7O2/c1-5-23-9-12(17(22-23)26-4)16(25)20-14-8-6-7-13(19-14)15-21-18-10-24(15)11(2)3/h6-11H,5H2,1-4H3,(H,19,20,25)
InChIKeyUGAQYDMHQFTUBE-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.40
Rot. Bonds6

About 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381276) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381276
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1
InChIInChI=1S/C17H21N7O2/c1-5-23-9-12(17(22-23)26-4)16(25)20-14-8-6-7-13(19-14)15-21-18-10-24(15)11(2)3/h6-11H,5H2,1-4H3,(H,19,20,25)
InChIKeyUGAQYDMHQFTUBE-UHFFFAOYSA-N
XLogP2.40
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 146381276) is 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1.
What is the InChIKey of 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is UGAQYDMHQFTUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-5-23-9-12(17(22-23)26-4)16(25)20-14-8-6-7-13(19-14)15-21-18-10-24(15)11(2)3/h6-11H,5H2,1-4H3,(H,19,20,25).
What are the key properties of 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).