2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide

C19H17N5O — CID 139822594

IUPAC2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nn(-c3ccccc3)c(N)c2C#N)cc1
InChIInChI=1S/C19H17N5O/c1-13-7-9-14(10-8-13)22-18(25)11-17-16(12-20)19(21)24(23-17)15-5-3-2-4-6-15/h2-10H,11,21H2,1H3,(H,22,25)
InChIKeyJFQLNRALYJQLNS-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.82
Rot. Bonds4

About 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide

2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide (PubChem CID 139822594) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide
PubChem CID139822594
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nn(-c3ccccc3)c(N)c2C#N)cc1
InChIInChI=1S/C19H17N5O/c1-13-7-9-14(10-8-13)22-18(25)11-17-16(12-20)19(21)24(23-17)15-5-3-2-4-6-15/h2-10H,11,21H2,1H3,(H,22,25)
InChIKeyJFQLNRALYJQLNS-UHFFFAOYSA-N
XLogP2.82
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)acetyl]amino]benzoate
CID 139822595
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
CID 55578965
2-[5-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-cyano-1-phenylpyrazol-3-yl]-N-(3-methylphenyl)acetamide
CID 139822606
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
CID 38784665
2-(2-cyanophenyl)-N-(4-methylphenyl)acetamide
CID 134694438
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 111243435
(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide
CID 38772287
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46411593
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[(2,4-dimethylphenyl)methyl]-2-methylguanidine
CID 111938585
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[1-(4-phenylphenyl)ethyl]urea
CID 112818265
(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 38772311

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide (CID 139822594) is 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2nn(-c3ccccc3)c(N)c2C#N)cc1.
What is the InChIKey of 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is JFQLNRALYJQLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-7-9-14(10-8-13)22-18(25)11-17-16(12-20)19(21)24(23-17)15-5-3-2-4-6-15/h2-10H,11,21H2,1H3,(H,22,25).
What are the key properties of 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide?
2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 139822594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).