4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide

C14H13N5O — CID 170798893

IUPAC4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide
SMILESN#Cc1cnn(-c2ccc(C=CCC(N)=O)cc2)c1N
InChIInChI=1S/C14H13N5O/c15-8-11-9-18-19(14(11)17)12-6-4-10(5-7-12)2-1-3-13(16)20/h1-2,4-7,9H,3,17H2,(H2,16,20)
InChIKeyHNNRDURIHSMHMT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.21
Rot. Bonds4

About 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide

4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide (PubChem CID 170798893) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide
PubChem CID170798893
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide
SMILESN#Cc1cnn(-c2ccc(C=CCC(N)=O)cc2)c1N
InChIInChI=1S/C14H13N5O/c15-8-11-9-18-19(14(11)17)12-6-4-10(5-7-12)2-1-3-13(16)20/h1-2,4-7,9H,3,17H2,(H2,16,20)
InChIKeyHNNRDURIHSMHMT-UHFFFAOYSA-N
XLogP1.21
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile
CID 169464456
N-[3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enyl]acetamide
CID 169466440
ethyl 3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enoate
CID 169481120
methyl 3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enoate
CID 169479734
tert-butyl N-[4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enyl]carbamate
CID 170491449
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
propan-2-yl 4-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 75416841
4-[4-(2-cyanoacetyl)phenyl]but-3-enamide
CID 170798579
3-(5-amino-4-cyanopyrazol-1-yl)-3-oxopropanamide
CID 130778595
[4-(5-amino-4-cyanopyrazol-1-yl)phenyl] thiocyanate
CID 121005973
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
5-amino-1-[4-(4-methylphenyl)sulfonylphenyl]pyrazole-4-carbonitrile
CID 2448280

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide?
The IUPAC name of 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide (CID 170798893) is 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide?
The canonical SMILES for 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide is N#Cc1cnn(-c2ccc(C=CCC(N)=O)cc2)c1N.
What is the InChIKey of 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide?
The InChIKey is HNNRDURIHSMHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-8-11-9-18-19(14(11)17)12-6-4-10(5-7-12)2-1-3-13(16)20/h1-2,4-7,9H,3,17H2,(H2,16,20).
What are the key properties of 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide?
4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide has a molecular weight of 267.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enamide is sourced from PubChem (CID 170798893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).