4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole

C18H15ClN2 — CID 141270020

IUPAC4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
SMILESClc1cccc(-c2c(-c3ccccc3)n[nH]c2C2CC2)c1
InChIInChI=1S/C18H15ClN2/c19-15-8-4-7-14(11-15)16-17(12-5-2-1-3-6-12)20-21-18(16)13-9-10-13/h1-8,11,13H,9-10H2,(H,20,21)
InChIKeyJDRSEEXMFFIAAX-UHFFFAOYSA-N
MW294.79 g/mol
LogP5.27
Rot. Bonds3

About 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole

4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole (PubChem CID 141270020) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
PubChem CID141270020
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
SMILESClc1cccc(-c2c(-c3ccccc3)n[nH]c2C2CC2)c1
InChIInChI=1S/C18H15ClN2/c19-15-8-4-7-14(11-15)16-17(12-5-2-1-3-6-12)20-21-18(16)13-9-10-13/h1-8,11,13H,9-10H2,(H,20,21)
InChIKeyJDRSEEXMFFIAAX-UHFFFAOYSA-N
XLogP5.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,4R)-4-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptan-1-amine
CID 90714150
4-(3-chlorophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
CID 63525557
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
2-[[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]sulfinyl]ethanol
CID 141270025
(2R)-4-[4-(3-chlorophenyl)-3-phenyl-1H-pyrazol-5-yl]butane-1,2-diol
CID 141270018
4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine
CID 22973174
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 115053603
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
CID 83868818
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136910495
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
4-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-amine
CID 43560980

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole?
The IUPAC name of 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole (CID 141270020) is 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole.
What is the SMILES notation for 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole?
The canonical SMILES for 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole is Clc1cccc(-c2c(-c3ccccc3)n[nH]c2C2CC2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole?
The InChIKey is JDRSEEXMFFIAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-15-8-4-7-14(11-15)16-17(12-5-2-1-3-6-12)20-21-18(16)13-9-10-13/h1-8,11,13H,9-10H2,(H,20,21).
What are the key properties of 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole?
4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole has a molecular weight of 294.79 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole is sourced from PubChem (CID 141270020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).