5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide

C11H13N5O — CID 46948874

IUPAC5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCNc1n[nH]c(N)c1C(=O)Nc1ccccc1
InChIInChI=1S/C11H13N5O/c1-13-10-8(9(12)15-16-10)11(17)14-7-5-3-2-4-6-7/h2-6H,1H3,(H,14,17)(H4,12,13,15,16)
InChIKeyUIXQAQYJTFHOII-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.29
Rot. Bonds3

About 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide

5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 46948874) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID46948874
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide
SMILESCNc1n[nH]c(N)c1C(=O)Nc1ccccc1
InChIInChI=1S/C11H13N5O/c1-13-10-8(9(12)15-16-10)11(17)14-7-5-3-2-4-6-7/h2-6H,1H3,(H,14,17)(H4,12,13,15,16)
InChIKeyUIXQAQYJTFHOII-UHFFFAOYSA-N
XLogP1.29
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide (CID 46948874) is 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide is CNc1n[nH]c(N)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is UIXQAQYJTFHOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-13-10-8(9(12)15-16-10)11(17)14-7-5-3-2-4-6-7/h2-6H,1H3,(H,14,17)(H4,12,13,15,16).
What are the key properties of 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide?
5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46948874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).