2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide

C13H13N5O — CID 55139836

IUPAC2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)Cn1ccc(N)n1)c1cccc(C#N)c1
InChIInChI=1S/C13H13N5O/c1-17(11-4-2-3-10(7-11)8-14)13(19)9-18-6-5-12(15)16-18/h2-7H,9H2,1H3,(H2,15,16)
InChIKeyQFBRGMIRKANMAN-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.00
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide

2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide (PubChem CID 55139836) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide
PubChem CID55139836
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)Cn1ccc(N)n1)c1cccc(C#N)c1
InChIInChI=1S/C13H13N5O/c1-17(11-4-2-3-10(7-11)8-14)13(19)9-18-6-5-12(15)16-18/h2-7H,9H2,1H3,(H2,15,16)
InChIKeyQFBRGMIRKANMAN-UHFFFAOYSA-N
XLogP1.00
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(diethylamino)acetamide
CID 2816486
N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 1244086
2-(Pyrazol-1-yl)-2'-methylacetanilide
CID 10465869
5-Oxozaleplon
CID 135465917
4-(3-amino-1H-pyrazol-1-yl)benzonitrile
CID 42656760
N-(3,4-dimethylphenyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1249913
N-[4-(cyanomethyl)phenyl]-2-(4-iodo-1H-pyrazol-1-yl)acetamide
CID 1511682
N-(4-acetamido-3-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949270
2-[4-(2-Pyrazol-1-ylpropanoyl)-1,4-diazepan-1-yl]benzonitrile
CID 53508311
1-(3-Cyanophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 53545454
2-[4-(2-Cyano-3-fluoroanilino)pyrazol-1-yl]acetamide
CID 53567652
2-[4-(2-cyano-3-fluoroanilino)pyrazol-1-yl]-N-methylacetamide
CID 53569669

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide (CID 55139836) is 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide is CN(C(=O)Cn1ccc(N)n1)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide?
The InChIKey is QFBRGMIRKANMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-17(11-4-2-3-10(7-11)8-14)13(19)9-18-6-5-12(15)16-18/h2-7H,9H2,1H3,(H2,15,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide?
2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide has a molecular weight of 255.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(3-cyanophenyl)-N-methylacetamide is sourced from PubChem (CID 55139836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).