4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

C11H17N7O — CID 62076450

IUPAC4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2nncn2C)c1N
InChIInChI=1S/C11H17N7O/c1-3-4-7-9(12)10(17-15-7)11(19)13-5-8-16-14-6-18(8)2/h6H,3-5,12H2,1-2H3,(H,13,19)(H,15,17)
InChIKeyYGJRPQKVPYIQPW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.00
Rot. Bonds5

About 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62076450) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62076450
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2nncn2C)c1N
InChIInChI=1S/C11H17N7O/c1-3-4-7-9(12)10(17-15-7)11(19)13-5-8-16-14-6-18(8)2/h6H,3-5,12H2,1-2H3,(H,13,19)(H,15,17)
InChIKeyYGJRPQKVPYIQPW-UHFFFAOYSA-N
XLogP0.00
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 62076450) is 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCc2nncn2C)c1N.
What is the InChIKey of 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YGJRPQKVPYIQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-4-7-9(12)10(17-15-7)11(19)13-5-8-16-14-6-18(8)2/h6H,3-5,12H2,1-2H3,(H,13,19)(H,15,17).
What are the key properties of 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).