[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone

C17H21ClN4O — CID 95754518

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H21ClN4O/c1-2-8-22-9-7-16(19-22)17(23)21-12-10-20(11-13-21)15-5-3-14(18)4-6-15/h3-7,9H,2,8,10-13H2,1H3
InChIKeyNOKXOHDHIANSMM-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.91
Rot. Bonds4

About [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone (PubChem CID 95754518) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
PubChem CID95754518
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C17H21ClN4O/c1-2-8-22-9-7-16(19-22)17(23)21-12-10-20(11-13-21)15-5-3-14(18)4-6-15/h3-7,9H,2,8,10-13H2,1H3
InChIKeyNOKXOHDHIANSMM-UHFFFAOYSA-N
XLogP2.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 35325173
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]methanone
CID 95754521
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53336711
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-propylpyrazol-3-yl)methanone
CID 35535451
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazole-4-carbonyl]piperidin-4-one
CID 53336715
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone
CID 95754602

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone (CID 95754518) is [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone is CCCn1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
The InChIKey is NOKXOHDHIANSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-2-8-22-9-7-16(19-22)17(23)21-12-10-20(11-13-21)15-5-3-14(18)4-6-15/h3-7,9H,2,8,10-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone has a molecular weight of 332.84 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 95754518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).