(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone

C15H18N2O3 — CID 115809753

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2c(OC)cnn2C)c1
InChIInChI=1S/C15H18N2O3/c1-4-8-20-12-7-5-6-11(9-12)15(18)14-13(19-3)10-16-17(14)2/h5-7,9-10H,4,8H2,1-3H3
InChIKeyIJJLPWBNDYMYHA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.45
Rot. Bonds6

About (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone

(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone (PubChem CID 115809753) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone
PubChem CID115809753
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2c(OC)cnn2C)c1
InChIInChI=1S/C15H18N2O3/c1-4-8-20-12-7-5-6-11(9-12)15(18)14-13(19-3)10-16-17(14)2/h5-7,9-10H,4,8H2,1-3H3
InChIKeyIJJLPWBNDYMYHA-UHFFFAOYSA-N
XLogP2.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115810337
(5-iodo-2-methoxyphenyl)-(3-propoxyphenyl)methanone
CID 63490601
acetyl 3-propoxybenzoate
CID 54339605
(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107996750
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
3-propoxybenzamide
CID 22311435
(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809508
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethoxyphenyl)methanone
CID 114638798
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
CID 115815063
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone (CID 115809753) is (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)c2c(OC)cnn2C)c1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone?
The InChIKey is IJJLPWBNDYMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-8-20-12-7-5-6-11(9-12)15(18)14-13(19-3)10-16-17(14)2/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone?
(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone has a molecular weight of 274.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone is sourced from PubChem (CID 115809753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).