1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine

C22H25ClN4 — CID 90507605

IUPAC1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25ClN4/c1-17-22(18(2)27(24-17)21-9-4-3-5-10-21)26-13-11-25(12-14-26)16-19-7-6-8-20(23)15-19/h3-10,15H,11-14,16H2,1-2H3
InChIKeyNPODGUGOCHKOSS-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.46
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine

1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine (PubChem CID 90507605) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
PubChem CID90507605
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25ClN4/c1-17-22(18(2)27(24-17)21-9-4-3-5-10-21)26-13-11-25(12-14-26)16-19-7-6-8-20(23)15-19/h3-10,15H,11-14,16H2,1-2H3
InChIKeyNPODGUGOCHKOSS-UHFFFAOYSA-N
XLogP4.46
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-3-ylmethyl)piperazine
CID 90507604
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine
CID 90507603
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90507607
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90507602
4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 90507613
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90508059
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 34131929
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507181
N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine
CID 2322272
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine (CID 90507605) is 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine is Cc1nn(-c2ccccc2)c(C)c1N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The InChIKey is NPODGUGOCHKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4/c1-17-22(18(2)27(24-17)21-9-4-3-5-10-21)26-13-11-25(12-14-26)16-19-7-6-8-20(23)15-19/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine has a molecular weight of 380.92 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine is sourced from PubChem (CID 90507605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).