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

C11H16N6O — CID 104621207

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2[nH]ncc2CC)n[nH]1
InChIInChI=1S/C11H16N6O/c1-3-5-8-13-10(17-15-8)11(18)14-9-7(4-2)6-12-16-9/h6H,3-5H2,1-2H3,(H,13,15,17)(H2,12,14,16,18)
InChIKeyHWTSACFXDMHLCH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.29
Rot. Bonds5

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

N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 104621207) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID104621207
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2[nH]ncc2CC)n[nH]1
InChIInChI=1S/C11H16N6O/c1-3-5-8-13-10(17-15-8)11(18)14-9-7(4-2)6-12-16-9/h6H,3-5H2,1-2H3,(H,13,15,17)(H2,12,14,16,18)
InChIKeyHWTSACFXDMHLCH-UHFFFAOYSA-N
XLogP1.29
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide
CID 114913702
N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107593512
2-methyl-3-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 113415863
N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107681627
5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106213840
N-(4-ethyl-1H-pyrazol-5-yl)pyrimidine-5-carboxamide
CID 104629328
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
N-(4-bromo-3-methoxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82861102
N-(3-fluoro-5-nitrophenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107335528
2-cyclobutyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 103750288
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 104621207) is N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)Nc2[nH]ncc2CC)n[nH]1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is HWTSACFXDMHLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-5-8-13-10(17-15-8)11(18)14-9-7(4-2)6-12-16-9/h6H,3-5H2,1-2H3,(H,13,15,17)(H2,12,14,16,18).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 104621207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).