N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide

C12H18N6O — CID 103010377

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCCc2ccnn2C)n[nH]1
InChIInChI=1S/C12H18N6O/c1-3-4-10-15-11(17-16-10)12(19)13-7-5-9-6-8-14-18(9)2/h6,8H,3-5,7H2,1-2H3,(H,13,19)(H,15,16,17)
InChIKeyKMBMQHZSYGYXIM-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.46
Rot. Bonds6

About N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide

N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 103010377) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID103010377
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCCc2ccnn2C)n[nH]1
InChIInChI=1S/C12H18N6O/c1-3-4-10-15-11(17-16-10)12(19)13-7-5-9-6-8-14-18(9)2/h6,8H,3-5,7H2,1-2H3,(H,13,19)(H,15,16,17)
InChIKeyKMBMQHZSYGYXIM-UHFFFAOYSA-N
XLogP0.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 103005653
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 113442300
N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114186847
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 104694698
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 103010377) is N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NCCc2ccnn2C)n[nH]1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is KMBMQHZSYGYXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-4-10-15-11(17-16-10)12(19)13-7-5-9-6-8-14-18(9)2/h6,8H,3-5,7H2,1-2H3,(H,13,19)(H,15,16,17).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 103010377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).