5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

C21H21N5O2 — CID 11188019

IUPAC5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C21H21N5O2/c1-13-7-8-14(20(27)24-15-9-10-15)11-18(13)25-21(28)17-12-23-26(19(17)22)16-5-3-2-4-6-16/h2-8,11-12,15H,9-10,22H2,1H3,(H,24,27)(H,25,28)
InChIKeyFOUXDDCORYJSOF-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.91
Rot. Bonds5

About 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 11188019) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID11188019
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C21H21N5O2/c1-13-7-8-14(20(27)24-15-9-10-15)11-18(13)25-21(28)17-12-23-26(19(17)22)16-5-3-2-4-6-16/h2-8,11-12,15H,9-10,22H2,1H3,(H,24,27)(H,25,28)
InChIKeyFOUXDDCORYJSOF-UHFFFAOYSA-N
XLogP2.91
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (CID 11188019) is 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is FOUXDDCORYJSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-7-8-14(20(27)24-15-9-10-15)11-18(13)25-21(28)17-12-23-26(19(17)22)16-5-3-2-4-6-16/h2-8,11-12,15H,9-10,22H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 11188019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).