N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H14N4O — CID 28776770

IUPACN-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(N)c2)cnn1C
InChIInChI=1S/C12H14N4O/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-4-9(13)6-10/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyQMWYTZYJZRJCDT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.56
Rot. Bonds2

About N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 28776770) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID28776770
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(N)c2)cnn1C
InChIInChI=1S/C12H14N4O/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-4-9(13)6-10/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyQMWYTZYJZRJCDT-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N-dibenzofuran-2-yl-1,5-dimethylpyrazole-4-carboxamide
CID 17462774
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 28776770) is N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(N)c2)cnn1C.
What is the InChIKey of N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is QMWYTZYJZRJCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-4-9(13)6-10/h3-7H,13H2,1-2H3,(H,15,17).
What are the key properties of N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28776770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).