1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine

C16H19ClN4 — CID 117210825

IUPAC1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
SMILESClc1ccccc1-n1ncc(N2CCNCC2)c1C1CC1
InChIInChI=1S/C16H19ClN4/c17-13-3-1-2-4-14(13)21-16(12-5-6-12)15(11-19-21)20-9-7-18-8-10-20/h1-4,11-12,18H,5-10H2
InChIKeyPGQLXARTHOYZSI-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.81
Rot. Bonds3

About 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine

1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine (PubChem CID 117210825) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
PubChem CID117210825
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
SMILESClc1ccccc1-n1ncc(N2CCNCC2)c1C1CC1
InChIInChI=1S/C16H19ClN4/c17-13-3-1-2-4-14(13)21-16(12-5-6-12)15(11-19-21)20-9-7-18-8-10-20/h1-4,11-12,18H,5-10H2
InChIKeyPGQLXARTHOYZSI-UHFFFAOYSA-N
XLogP2.81
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210435
1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine
CID 117210842
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
2-[4-(4-aminopiperidin-1-yl)-5-cyclopropylpyrazol-1-yl]phenol
CID 117210810
1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
CID 117210663
[1-(2-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 146053322
1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924142
N-[[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440904
1-(2-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 50759311
1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210828

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine?
The IUPAC name of 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine (CID 117210825) is 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine?
The canonical SMILES for 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine is Clc1ccccc1-n1ncc(N2CCNCC2)c1C1CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine?
The InChIKey is PGQLXARTHOYZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-13-3-1-2-4-14(13)21-16(12-5-6-12)15(11-19-21)20-9-7-18-8-10-20/h1-4,11-12,18H,5-10H2.
What are the key properties of 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine?
1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine has a molecular weight of 302.81 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine is sourced from PubChem (CID 117210825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).