(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

C12H13N3O2 — CID 114668105

IUPAC(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H13N3O2/c1-15-11(10(17-2)7-14-15)12(16)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3
InChIKeyYFBWIRQCJMMTLF-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.24
Rot. Bonds3

About (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 114668105) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID114668105
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H13N3O2/c1-15-11(10(17-2)7-14-15)12(16)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3
InChIKeyYFBWIRQCJMMTLF-UHFFFAOYSA-N
XLogP1.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809508
(E)-3-(4-aminophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)prop-2-en-1-one
CID 114670921
(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107996750
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
(4-methoxy-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 115809517
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114641498
(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115809753
(4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone
CID 114641738
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 114668105) is (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is YFBWIRQCJMMTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-11(10(17-2)7-14-15)12(16)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3.
What are the key properties of (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 231.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114668105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).