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

C16H19ClN4 — CID 117210435

IUPAC1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
SMILESClc1ccc(-n2ncc(N3CCNCC3)c2C2CC2)cc1
InChIInChI=1S/C16H19ClN4/c17-13-3-5-14(6-4-13)21-16(12-1-2-12)15(11-19-21)20-9-7-18-8-10-20/h3-6,11-12,18H,1-2,7-10H2
InChIKeyCTWSMLMLDOZNAC-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.81
Rot. Bonds3

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

1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine (PubChem CID 117210435) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
PubChem CID117210435
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
SMILESClc1ccc(-n2ncc(N3CCNCC3)c2C2CC2)cc1
InChIInChI=1S/C16H19ClN4/c17-13-3-5-14(6-4-13)21-16(12-1-2-12)15(11-19-21)20-9-7-18-8-10-20/h3-6,11-12,18H,1-2,7-10H2
InChIKeyCTWSMLMLDOZNAC-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]piperidin-4-amine
CID 117210416
1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210825
1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine
CID 117210842
1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
CID 117210663
1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid
CID 71564714
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20918581
N-(4-bromophenyl)-1-(4-chlorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924035
1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine
CID 117210563
1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine
CID 117210560
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
1-(5-ethyl-1-phenylpyrazol-4-yl)piperazine
CID 117210557
1-(4-chlorophenyl)-N-(3-fluoro-4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953866

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine (CID 117210435) is 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine is Clc1ccc(-n2ncc(N3CCNCC3)c2C2CC2)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine?
The InChIKey is CTWSMLMLDOZNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-13-3-5-14(6-4-13)21-16(12-1-2-12)15(11-19-21)20-9-7-18-8-10-20/h3-6,11-12,18H,1-2,7-10H2.
What are the key properties of 1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine?
1-[1-(4-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-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine is sourced from PubChem (CID 117210435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).