4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

C13H13N5O — CID 63102864

IUPAC4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C13H13N5O/c1-18(13(19)12-11(15)7-16-17-12)8-10-4-2-9(6-14)3-5-10/h2-5,7H,8,15H2,1H3,(H,16,17)
InChIKeyKTGAWLOQHGNXDX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.14
Rot. Bonds3

About 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63102864) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63102864
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C13H13N5O/c1-18(13(19)12-11(15)7-16-17-12)8-10-4-2-9(6-14)3-5-10/h2-5,7H,8,15H2,1H3,(H,16,17)
InChIKeyKTGAWLOQHGNXDX-UHFFFAOYSA-N
XLogP1.14
TPSA98.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39861861
4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104327
4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55179183
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134
4-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63103405
5-amino-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 61107084
2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 61105027
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63103779

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 63102864) is 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is KTGAWLOQHGNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18(13(19)12-11(15)7-16-17-12)8-10-4-2-9(6-14)3-5-10/h2-5,7H,8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63102864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).