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

C21H21N5O2 — CID 155548563

IUPAC5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C21H21N5O2/c22-19-18(13-24-26(19)17-4-2-1-3-5-17)21(28)23-12-14-6-8-15(9-7-14)20(27)25-16-10-11-16/h1-9,13,16H,10-12,22H2,(H,23,28)(H,25,27)
InChIKeyFOPATQVKLFOSJE-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.28
Rot. Bonds6

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

5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 155548563) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID155548563
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C21H21N5O2/c22-19-18(13-24-26(19)17-4-2-1-3-5-17)21(28)23-12-14-6-8-15(9-7-14)20(27)25-16-10-11-16/h1-9,13,16H,10-12,22H2,(H,23,28)(H,25,27)
InChIKeyFOPATQVKLFOSJE-UHFFFAOYSA-N
XLogP2.28
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.28
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-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 155548563) is 5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is Nc1c(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)cnn1-c1ccccc1.
What is the InChIKey of 5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is FOPATQVKLFOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-19-18(13-24-26(19)17-4-2-1-3-5-17)21(28)23-12-14-6-8-15(9-7-14)20(27)25-16-10-11-16/h1-9,13,16H,10-12,22H2,(H,23,28)(H,25,27).
What are the key properties of 5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155548563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).