[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone

C18H15ClN2O2 — CID 2745776

IUPAC[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone
SMILESCc1nn(C(=O)c2ccccc2)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12-17(23-16-10-8-15(19)9-11-16)13(2)21(20-12)18(22)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyUTCQVNWZRDIMIH-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.63
Rot. Bonds3

About [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone

[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone (PubChem CID 2745776) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone
PubChem CID2745776
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone
SMILESCc1nn(C(=O)c2ccccc2)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12-17(23-16-10-8-15(19)9-11-16)13(2)21(20-12)18(22)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyUTCQVNWZRDIMIH-UHFFFAOYSA-N
XLogP4.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 887689
(4-Aminophenyl)-[3,5-dimethyl-4-(4-methylphenoxy)pyrazol-1-yl]methanone
CID 145992560
(1-Benzyl-3,5-dimethylpyrazol-4-yl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 16283412
(4-Chlorophenyl)-[3,5-dimethyl-4-(4-methylphenoxy)pyrazol-1-yl]methanone
CID 145992946
(4-Chlorophenyl) 1-benzyl-3-tert-butylpyrazole-5-carboxylate
CID 2744523
[4-(4-Chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-cyclopropylmethanone
CID 2745777
[(E)-[1-amino-3-[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]propylidene]amino] benzoate
CID 5704291
[4-(4-Chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 2745037
N-{[5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-YL]methyl}-3-fluoro-N-propylbenzamide
CID 51069537
N-{[5-(4-Chlorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-YL]methyl}-4-fluoro-N-(2-methoxyethyl)benzamide
CID 51069637
N-acetyl-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76308919
(4-Bromo-3,5-dimethylpyrazol-1-yl)-[4-[(2-chlorophenoxy)methyl]phenyl]methanone
CID 1002640

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone (CID 2745776) is [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone is Cc1nn(C(=O)c2ccccc2)c(C)c1Oc1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone?
The InChIKey is UTCQVNWZRDIMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-17(23-16-10-8-15(19)9-11-16)13(2)21(20-12)18(22)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone?
[4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone has a molecular weight of 326.78 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-3,5-dimethylpyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 2745776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).