5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

C18H17N5O2 — CID 155534860

IUPAC5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C18H17N5O2/c19-16-15(11-22-23(16)14-4-2-1-3-5-14)18(25)21-10-12-6-8-13(9-7-12)17(20)24/h1-9,11H,10,19H2,(H2,20,24)(H,21,25)
InChIKeyQIVQCXKNBIGZSJ-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.48
Rot. Bonds5

About 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 155534860) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID155534860
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C18H17N5O2/c19-16-15(11-22-23(16)14-4-2-1-3-5-14)18(25)21-10-12-6-8-13(9-7-12)17(20)24/h1-9,11H,10,19H2,(H2,20,24)(H,21,25)
InChIKeyQIVQCXKNBIGZSJ-UHFFFAOYSA-N
XLogP1.48
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 155534860) is 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide is NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1.
What is the InChIKey of 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is QIVQCXKNBIGZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-16-15(11-22-23(16)14-4-2-1-3-5-14)18(25)21-10-12-6-8-13(9-7-12)17(20)24/h1-9,11H,10,19H2,(H2,20,24)(H,21,25).
What are the key properties of 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-carbamoylphenyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155534860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).