4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide

C12H14N4O — CID 3061964

IUPAC4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C12H14N4O/c1-8-10(13)11(16-15-8)12(17)14-7-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyPATVSZXLYJURIO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.23
Rot. Bonds3

About 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 3061964) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID3061964
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C12H14N4O/c1-8-10(13)11(16-15-8)12(17)14-7-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyPATVSZXLYJURIO-UHFFFAOYSA-N
XLogP1.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide (CID 3061964) is 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCc2ccccc2)c1N.
What is the InChIKey of 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PATVSZXLYJURIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-10(13)11(16-15-8)12(17)14-7-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 3061964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).