1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide

C14H20N6O — CID 122134983

IUPAC1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide
SMILESCC(C)C1(CNC(=O)c2cnn(C)c2-n2cnnc2)CC1
InChIInChI=1S/C14H20N6O/c1-10(2)14(4-5-14)7-15-12(21)11-6-18-19(3)13(11)20-8-16-17-9-20/h6,8-10H,4-5,7H2,1-3H3,(H,15,21)
InChIKeyDKLYIXYLHPGVDV-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.17
Rot. Bonds5

About 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide

1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide (PubChem CID 122134983) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide
PubChem CID122134983
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide
SMILESCC(C)C1(CNC(=O)c2cnn(C)c2-n2cnnc2)CC1
InChIInChI=1S/C14H20N6O/c1-10(2)14(4-5-14)7-15-12(21)11-6-18-19(3)13(11)20-8-16-17-9-20/h6,8-10H,4-5,7H2,1-3H3,(H,15,21)
InChIKeyDKLYIXYLHPGVDV-UHFFFAOYSA-N
XLogP1.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-5-carboxamide
CID 114114711
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 111597138
2,4-dihydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742421
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 80717583
5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 111486355
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103742429
5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 103940231
methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate
CID 136571709
5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 104591802
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 114114627
N-[(1-propan-2-ylcyclopropyl)methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 126782892
2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid
CID 114217905

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide (CID 122134983) is 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide is CC(C)C1(CNC(=O)c2cnn(C)c2-n2cnnc2)CC1.
What is the InChIKey of 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is DKLYIXYLHPGVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(2)14(4-5-14)7-15-12(21)11-6-18-19(3)13(11)20-8-16-17-9-20/h6,8-10H,4-5,7H2,1-3H3,(H,15,21).
What are the key properties of 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide?
1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]-5-(1,2,4-triazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 122134983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).