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

C10H14N6O — CID 78924905

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C10H14N6O/c1-7-8(5-12-14-7)3-2-4-11-10(17)9-6-13-16-15-9/h5-6H,2-4H2,1H3,(H,11,17)(H,12,14)(H,13,15,16)
InChIKeyDHQKWCDVUHIJMW-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.20
Rot. Bonds5

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

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide (PubChem CID 78924905) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
PubChem CID78924905
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
SMILESCc1[nH]ncc1CCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C10H14N6O/c1-7-8(5-12-14-7)3-2-4-11-10(17)9-6-13-16-15-9/h5-6H,2-4H2,1H3,(H,11,17)(H,12,14)(H,13,15,16)
InChIKeyDHQKWCDVUHIJMW-UHFFFAOYSA-N
XLogP0.20
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
CID 107374698
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 62039846
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619552
2,5-dibromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 114372171

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide (CID 78924905) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide is Cc1[nH]ncc1CCCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide?
The InChIKey is DHQKWCDVUHIJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-8(5-12-14-7)3-2-4-11-10(17)9-6-13-16-15-9/h5-6H,2-4H2,1H3,(H,11,17)(H,12,14)(H,13,15,16).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78924905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).