4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole

C13H13ClN2 — CID 118949003

IUPAC4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole
SMILESClCc1cn(-c2ccccc2)nc1C1CC1
InChIInChI=1S/C13H13ClN2/c14-8-11-9-16(12-4-2-1-3-5-12)15-13(11)10-6-7-10/h1-5,9-10H,6-8H2
InChIKeyPTZRRUFHJGXYLE-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.49
Rot. Bonds3

About 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole

4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole (PubChem CID 118949003) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole
PubChem CID118949003
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole
SMILESClCc1cn(-c2ccccc2)nc1C1CC1
InChIInChI=1S/C13H13ClN2/c14-8-11-9-16(12-4-2-1-3-5-12)15-13(11)10-6-7-10/h1-5,9-10H,6-8H2
InChIKeyPTZRRUFHJGXYLE-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde
CID 83885760
3-cyclopentyl-1-phenylpyrazol-4-amine
CID 83217224
3-[4-(chloromethyl)-3-cyclopropylphenyl]-1-phenylpyrazole
CID 177176009
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol
CID 1474502
4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
CID 174757890
1-(3-cyclobutyl-1-phenylpyrazol-4-yl)-4-(2-pyrrolidin-1-ylethyl)piperidine
CID 175321770
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 112840561
4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
CID 77091492
4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509853
CID 67048003
CID 67048003

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole?
The IUPAC name of 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole (CID 118949003) is 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole?
The canonical SMILES for 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole is ClCc1cn(-c2ccccc2)nc1C1CC1.
What is the InChIKey of 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole?
The InChIKey is PTZRRUFHJGXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-8-11-9-16(12-4-2-1-3-5-12)15-13(11)10-6-7-10/h1-5,9-10H,6-8H2.
What are the key properties of 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole?
4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole has a molecular weight of 232.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-cyclopropyl-1-phenylpyrazole is sourced from PubChem (CID 118949003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).