(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone

C14H11ClN4O — CID 105132583

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H11ClN4O/c1-18-13(12(15)8-16-18)14(20)10-7-17-19(9-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyBSAUUGFYYXTSER-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.49
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 105132583) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID105132583
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H11ClN4O/c1-18-13(12(15)8-16-18)14(20)10-7-17-19(9-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyBSAUUGFYYXTSER-UHFFFAOYSA-N
XLogP2.49
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenylpyrazole-4-carbonyl iodide
CID 130257311
(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 43340191
(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
CID 114990512
(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463443
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 115809410
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(5-fluoro-3-pyridinyl)-(1-phenylpyrazol-4-yl)methanone
CID 105081916
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
2-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 54092453

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone (CID 105132583) is (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone is Cn1ncc(Cl)c1C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is BSAUUGFYYXTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-18-13(12(15)8-16-18)14(20)10-7-17-19(9-10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 286.72 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 105132583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).