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

C11H16N6O — CID 106213840

IUPAC5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NC(C)c2cn[nH]c2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-3-4-9-15-10(17-16-9)11(18)14-7(2)8-5-12-13-6-8/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,18)(H,15,16,17)
InChIKeyFKHVUDRXXRGSMR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.97
Rot. Bonds5

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

5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106213840) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID106213840
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NC(C)c2cn[nH]c2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-3-4-9-15-10(17-16-9)11(18)14-7(2)8-5-12-13-6-8/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,18)(H,15,16,17)
InChIKeyFKHVUDRXXRGSMR-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 106208024
2-methyl-3-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 113415863
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 104621207
2-(1-methylpyrazol-4-yl)-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]acetic acid
CID 115288116
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106218117
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
2-ethyl-6-hydrazinyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218268
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212884

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide (CID 106213840) is 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NC(C)c2cn[nH]c2)n[nH]1.
What is the InChIKey of 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is FKHVUDRXXRGSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-4-9-15-10(17-16-9)11(18)14-7(2)8-5-12-13-6-8/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,18)(H,15,16,17).
What are the key properties of 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide?
5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106213840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).