4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide

C14H15N5O — CID 107802362

IUPAC4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C14H15N5O/c1-3-19-13(11(16)8-17-19)14(20)18-12-6-4-5-9(2)10(12)7-15/h4-6,8H,3,16H2,1-2H3,(H,18,20)
InChIKeyPJNRQFDFRNEFQZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.92
Rot. Bonds3

About 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide

4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 107802362) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID107802362
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C14H15N5O/c1-3-19-13(11(16)8-17-19)14(20)18-12-6-4-5-9(2)10(12)7-15/h4-6,8H,3,16H2,1-2H3,(H,18,20)
InChIKeyPJNRQFDFRNEFQZ-UHFFFAOYSA-N
XLogP1.92
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357180
4-amino-N-(2,6-diethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 65357426
3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431
4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide
CID 65359105
N-(2-cyano-3-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 114003192
methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 65357576
4-amino-1-ethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 65357225
4-amino-1-ethyl-N-(2-prop-2-enylsulfanylphenyl)pyrazole-5-carboxamide
CID 65357588
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
4-amino-N-(2-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357625
4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 81262492
N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
CID 65357059

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide (CID 107802362) is 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)Nc1cccc(C)c1C#N.
What is the InChIKey of 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is PJNRQFDFRNEFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-19-13(11(16)8-17-19)14(20)18-12-6-4-5-9(2)10(12)7-15/h4-6,8H,3,16H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide?
4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 107802362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).