N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide

C18H18N4O — CID 50984671

IUPACN-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)nn(-c3ccccc3)c2N)c1
InChIInChI=1S/C18H18N4O/c1-12-17(14-7-6-8-15(11-14)20-13(2)23)18(19)22(21-12)16-9-4-3-5-10-16/h3-11H,19H2,1-2H3,(H,20,23)
InChIKeyKHXCTIQCNFCMJP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.39
Rot. Bonds3

About N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide

N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide (PubChem CID 50984671) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide
PubChem CID50984671
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)nn(-c3ccccc3)c2N)c1
InChIInChI=1S/C18H18N4O/c1-12-17(14-7-6-8-15(11-14)20-13(2)23)18(19)22(21-12)16-9-4-3-5-10-16/h3-11H,19H2,1-2H3,(H,20,23)
InChIKeyKHXCTIQCNFCMJP-UHFFFAOYSA-N
XLogP3.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide
CID 71542339
N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 119164766
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide
CID 26124459
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 154905790
N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
CID 71003917
(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 51868857
4-[5-amino-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzoic acid
CID 25219429
N-(3-acetylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9209621
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide (CID 50984671) is N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2c(C)nn(-c3ccccc3)c2N)c1.
What is the InChIKey of N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide?
The InChIKey is KHXCTIQCNFCMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-17(14-7-6-8-15(11-14)20-13(2)23)18(19)22(21-12)16-9-4-3-5-10-16/h3-11H,19H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide?
N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 50984671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).