(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone

C12H13N3O2 — CID 91256750

IUPAC(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)cc2N)cc1
InChIInChI=1S/C12H13N3O2/c1-8-7-11(13)15(14-8)12(16)9-3-5-10(17-2)6-4-9/h3-7H,13H2,1-2H3
InChIKeyJQCNNLRQYOOLMT-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.47
Rot. Bonds2

About (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone

(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 91256750) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID91256750
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)cc2N)cc1
InChIInChI=1S/C12H13N3O2/c1-8-7-11(13)15(14-8)12(16)9-3-5-10(17-2)6-4-9/h3-7H,13H2,1-2H3
InChIKeyJQCNNLRQYOOLMT-UHFFFAOYSA-N
XLogP1.47
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-3-methylpyrazol-1-yl)-(4-aminophenyl)methanone
CID 110462579
(5-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)methanone
CID 118796828
(5-amino-3-methylpyrazol-1-yl)-(2-aminophenyl)methanone
CID 110465642
(5-amino-3-methylpyrazol-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 110463322
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 1084416
1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
CID 110460709
(3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone
CID 138857730
[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 4692933
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
2-amino-1-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 83618012
(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone
CID 110466411

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone (CID 91256750) is (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2nc(C)cc2N)cc1.
What is the InChIKey of (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is JQCNNLRQYOOLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-7-11(13)15(14-8)12(16)9-3-5-10(17-2)6-4-9/h3-7H,13H2,1-2H3.
What are the key properties of (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 231.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 91256750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).