4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide

C14H15N5O — CID 65359105

IUPAC4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C14H15N5O/c1-2-19-13(12(16)9-17-19)14(20)18-11-5-3-10(4-6-11)7-8-15/h3-6,9H,2,7,16H2,1H3,(H,18,20)
InChIKeyPSTJMJNLAZDPBC-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.80
Rot. Bonds4

About 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide

4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 65359105) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide
PubChem CID65359105
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C14H15N5O/c1-2-19-13(12(16)9-17-19)14(20)18-11-5-3-10(4-6-11)7-8-15/h3-6,9H,2,7,16H2,1H3,(H,18,20)
InChIKeyPSTJMJNLAZDPBC-UHFFFAOYSA-N
XLogP1.80
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357180
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
CID 65357059
4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 65357225
4-amino-1-ethyl-N-(1H-pyrazol-4-yl)pyrazole-5-carboxamide
CID 65357048
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-amino-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357288
4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
CID 65356994
4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 39854861
4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 107802362
4-amino-N-(2,6-diethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 65357426
N-[4-(cyanomethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 113230498

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide (CID 65359105) is 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is PSTJMJNLAZDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-19-13(12(16)9-17-19)14(20)18-11-5-3-10(4-6-11)7-8-15/h3-6,9H,2,7,16H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide?
4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65359105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).