3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

C9H9ClN2 — CID 13143700

IUPAC3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNCC2)cc1
InChIInChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-4,11H,5-6H2
InChIKeyMNNBRTOCZDFZQP-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.04
Rot. Bonds1

About 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 13143700) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID13143700
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNCC2)cc1
InChIInChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-4,11H,5-6H2
InChIKeyMNNBRTOCZDFZQP-UHFFFAOYSA-N
XLogP2.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
CID 13196080
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3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
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3-(chloromethyl)-5-(4-chlorophenyl)-2,4-dihydrotriazole
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(5R)-3-(4-chlorophenyl)-5-(trichloromethyl)-4,5-dihydro-1H-pyrazole
CID 6933181
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CID 86290450
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
4-(4-chlorophenyl)-2,5-dihydro-1,3-oxazole
CID 12732791
1-(2-bromocyclobuten-1-yl)-4-chlorobenzene
CID 164680892
(4R)-3,4-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 129362660
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (CID 13143700) is 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is Clc1ccc(C2=NNCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is MNNBRTOCZDFZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-4,11H,5-6H2.
What are the key properties of 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 180.64 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 13143700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).