(2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone

C12H12N2O2 — CID 1246007

IUPAC(2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone
SMILESCOc1ccccc1C(=O)n1cc(C)cn1
InChIInChI=1S/C12H12N2O2/c1-9-7-13-14(8-9)12(15)10-5-3-4-6-11(10)16-2/h3-8H,1-2H3
InChIKeyBLPMHBJBIMSIPR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.89
Rot. Bonds2

About (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone

(2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone (PubChem CID 1246007) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone
PubChem CID1246007
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone
SMILESCOc1ccccc1C(=O)n1cc(C)cn1
InChIInChI=1S/C12H12N2O2/c1-9-7-13-14(8-9)12(15)10-5-3-4-6-11(10)16-2/h3-8H,1-2H3
InChIKeyBLPMHBJBIMSIPR-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(tert-butyl)-1H-pyrazol-4-yl][2-(3-fluoropropoxy)phenyl]methanone
CID 2768408
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
5-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 841893
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzaldehyde
CID 795473
3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
[4-(2-Hydroxy-5-methylbenzoyl)pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 2116213
5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 887885
5-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 842012
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1224532
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 3238161
2-{1-[(3R,6R)-6-Methy-1-{[2-(2,2,2-trifluoroethoxy)phenyl]carbonyl} piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314186

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone (CID 1246007) is (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone is COc1ccccc1C(=O)n1cc(C)cn1.
What is the InChIKey of (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone?
The InChIKey is BLPMHBJBIMSIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-7-13-14(8-9)12(15)10-5-3-4-6-11(10)16-2/h3-8H,1-2H3.
What are the key properties of (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone?
(2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 1246007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).