(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone

C12H13N3O — CID 57433379

IUPAC(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1cccc(N)c1
InChIInChI=1S/C12H13N3O/c1-8-11(7-15(2)14-8)12(16)9-4-3-5-10(13)6-9/h3-7H,13H2,1-2H3
InChIKeyXCJMRDDECHBZQP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.54
Rot. Bonds2

About (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone

(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 57433379) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID57433379
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1cccc(N)c1
InChIInChI=1S/C12H13N3O/c1-8-11(7-15(2)14-8)12(16)9-4-3-5-10(13)6-9/h3-7H,13H2,1-2H3
InChIKeyXCJMRDDECHBZQP-UHFFFAOYSA-N
XLogP1.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802657
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
CID 102801161
(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
CID 102802866
(3-aminophenyl)-(6-methyl-1,3-benzodioxol-5-yl)methanone
CID 116917269
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743
(2,3-difluorophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802768
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
N-(3-carbamothioylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801518
(3-aminophenyl)-phenylmethanone
CID 17817
(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 102802735
(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
CID 95423867

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone (CID 57433379) is (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is XCJMRDDECHBZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-11(7-15(2)14-8)12(16)9-4-3-5-10(13)6-9/h3-7H,13H2,1-2H3.
What are the key properties of (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone?
(3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 215.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 57433379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).