4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide

C13H13N5O — CID 65357180

IUPAC4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H13N5O/c1-2-18-12(11(15)8-16-18)13(19)17-10-5-3-9(7-14)4-6-10/h3-6,8H,2,15H2,1H3,(H,17,19)
InChIKeyIGMDOKAXQSDDSQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.61
Rot. Bonds3

About 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide

4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 65357180) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID65357180
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H13N5O/c1-2-18-12(11(15)8-16-18)13(19)17-10-5-3-9(7-14)4-6-10/h3-6,8H,2,15H2,1H3,(H,17,19)
InChIKeyIGMDOKAXQSDDSQ-UHFFFAOYSA-N
XLogP1.61
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4-(cyanomethyl)phenyl]-1-ethylpyrazole-5-carboxamide
CID 65359105
4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 39854861
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-N-(2-cyano-3-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 107802362
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-amino-1-ethyl-N-(1H-pyrazol-4-yl)pyrazole-5-carboxamide
CID 65357048
4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
CID 65356994
4-amino-N-(2,6-diethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 65357426
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide (CID 65357180) is 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is IGMDOKAXQSDDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-18-12(11(15)8-16-18)13(19)17-10-5-3-9(7-14)4-6-10/h3-6,8H,2,15H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide?
4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65357180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).