(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone

C12H13N3O — CID 110462429

IUPAC(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2nc(C)cc2N)c1
InChIInChI=1S/C12H13N3O/c1-8-4-3-5-10(6-8)12(16)15-11(13)7-9(2)14-15/h3-7H,13H2,1-2H3
InChIKeyWCJGQRXPRMJZKZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.77
Rot. Bonds1

About (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone

(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone (PubChem CID 110462429) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone
PubChem CID110462429
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)n2nc(C)cc2N)c1
InChIInChI=1S/C12H13N3O/c1-8-4-3-5-10(6-8)12(16)15-11(13)7-9(2)14-15/h3-7H,13H2,1-2H3
InChIKeyWCJGQRXPRMJZKZ-UHFFFAOYSA-N
XLogP1.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 110463322
(5-amino-3-methylpyrazol-1-yl)-(2-aminophenyl)methanone
CID 110465642
(3-methylphenyl)-(3-methylpyrazol-1-yl)methanone
CID 917594
(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
CID 162671475
1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
CID 110460709
(3-methylphenyl)-(1,2,4-triazol-1-yl)methanone
CID 172733001
(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
CID 110471175
methyl 5-amino-3-methylpyrazole-1-carboxylate
CID 110459451
bis(3-methylphenyl)methanone
CID 17848
N-methyl-1-(3-methylbenzoyl)indazole-3-carboxamide
CID 175254952
(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone
CID 110466411
(5-amino-3-methylpyrazol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 112524813

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone (CID 110462429) is (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)n2nc(C)cc2N)c1.
What is the InChIKey of (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone?
The InChIKey is WCJGQRXPRMJZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-4-3-5-10(6-8)12(16)15-11(13)7-9(2)14-15/h3-7H,13H2,1-2H3.
What are the key properties of (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone?
(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone has a molecular weight of 215.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 110462429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).