N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide

C19H23N5O2 — CID 100830947

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCCn2nc(C)cc2C)n(-c2ccccc2)n1
InChIInChI=1S/C19H23N5O2/c1-14-12-15(2)23(21-14)11-7-10-20-19(25)17-13-18(26-3)22-24(17)16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,20,25)
InChIKeyVUVFXXXMXCBYDK-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.51
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide (PubChem CID 100830947) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
PubChem CID100830947
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
SMILESCOc1cc(C(=O)NCCCn2nc(C)cc2C)n(-c2ccccc2)n1
InChIInChI=1S/C19H23N5O2/c1-14-12-15(2)23(21-14)11-7-10-20-19(25)17-13-18(26-3)22-24(17)16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,20,25)
InChIKeyVUVFXXXMXCBYDK-UHFFFAOYSA-N
XLogP2.51
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830430
5-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-3-carboxamide
CID 51999451
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide
CID 100830431
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-benzofuran-2-carboxamide
CID 119055434
[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8725416
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide (CID 100830947) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide is COc1cc(C(=O)NCCCn2nc(C)cc2C)n(-c2ccccc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide?
The InChIKey is VUVFXXXMXCBYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-12-15(2)23(21-14)11-7-10-20-19(25)17-13-18(26-3)22-24(17)16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,20,25).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 100830947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).