4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide

C12H11N5O — CID 107345205

IUPAC4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide
SMILESN#Cc1ccccc1Cn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C12H11N5O/c13-5-8-3-1-2-4-9(8)6-17-7-10(14)11(16-17)12(15)18/h1-4,7H,6,14H2,(H2,15,18)
InChIKeyUJAXZESBGMSVIT-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.48
Rot. Bonds3

About 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide

4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide (PubChem CID 107345205) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide
PubChem CID107345205
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide
SMILESN#Cc1ccccc1Cn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C12H11N5O/c13-5-8-3-1-2-4-9(8)6-17-7-10(14)11(16-17)12(15)18/h1-4,7H,6,14H2,(H2,15,18)
InChIKeyUJAXZESBGMSVIT-UHFFFAOYSA-N
XLogP0.48
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide (CID 107345205) is 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide is N#Cc1ccccc1Cn1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is UJAXZESBGMSVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-5-8-3-1-2-4-9(8)6-17-7-10(14)11(16-17)12(15)18/h1-4,7H,6,14H2,(H2,15,18).
What are the key properties of 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide?
4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-cyanophenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).