5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide

C16H19N5O2 — CID 58200742

IUPAC5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1nc(C)c(C(N)=O)c1N
InChIInChI=1S/C16H19N5O2/c1-8-3-4-10(16(23)19-11-5-6-11)7-12(8)21-14(17)13(15(18)22)9(2)20-21/h3-4,7,11H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyYXBBNYMSQKCSPX-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.06
Rot. Bonds4

About 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide

5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 58200742) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
PubChem CID58200742
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1nc(C)c(C(N)=O)c1N
InChIInChI=1S/C16H19N5O2/c1-8-3-4-10(16(23)19-11-5-6-11)7-12(8)21-14(17)13(15(18)22)9(2)20-21/h3-4,7,11H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyYXBBNYMSQKCSPX-UHFFFAOYSA-N
XLogP1.06
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide (CID 58200742) is 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1-n1nc(C)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is YXBBNYMSQKCSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-8-3-4-10(16(23)19-11-5-6-11)7-12(8)21-14(17)13(15(18)22)9(2)20-21/h3-4,7,11H,5-6,17H2,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide?
5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 58200742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).