[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine

C20H28Cl2N4 — CID 142934351

IUPAC[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESCn1cc(Cl)c(CN(Cc2ccc(Cl)cc2)CC2CCC(CN)CC2)n1
InChIInChI=1S/C20H28Cl2N4/c1-25-13-19(22)20(24-25)14-26(12-17-6-8-18(21)9-7-17)11-16-4-2-15(10-23)3-5-16/h6-9,13,15-16H,2-5,10-12,14,23H2,1H3
InChIKeyRMROJFYIEWZBCF-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.49
Rot. Bonds7

About [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine

[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine (PubChem CID 142934351) has the molecular formula C20H28Cl2N4 and a molecular weight of 395.38 g/mol. Its IUPAC name is [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
PubChem CID142934351
Molecular FormulaC20H28Cl2N4
Molecular Weight395.38 g/mol
Exact Mass394.17
IUPAC Name[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
SMILESCn1cc(Cl)c(CN(Cc2ccc(Cl)cc2)CC2CCC(CN)CC2)n1
InChIInChI=1S/C20H28Cl2N4/c1-25-13-19(22)20(24-25)14-26(12-17-6-8-18(21)9-7-17)11-16-4-2-15(10-23)3-5-16/h6-9,13,15-16H,2-5,10-12,14,23H2,1H3
InChIKeyRMROJFYIEWZBCF-UHFFFAOYSA-N
XLogP4.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

1-(3-Chloro-benzyl)-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 12052258
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838
1-benzyl-4-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperazine
CID 16191185
N-[[3-(4-chlorophenyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546285
N-[[3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 73348042
N-[[3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 73354108
4-[1-[(2S)-2-anilinopropyl]pyrazol-3-yl]-2-chlorobenzonitrile
CID 155536822
N-[2-[3-(4-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155555275
1-(4-chlorobenzyl)-3-cyclopropyl-1H-pyrazole
CID 3797105
2-[[3-(4-Chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 2319268
N-[[1-(2-chlorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72547540
(2S)-1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-2-isopropyl-4-methylpiperazine
CID 16188981

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine (CID 142934351) is [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine is Cn1cc(Cl)c(CN(Cc2ccc(Cl)cc2)CC2CCC(CN)CC2)n1.
What is the InChIKey of [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
The InChIKey is RMROJFYIEWZBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N4/c1-25-13-19(22)20(24-25)14-26(12-17-6-8-18(21)9-7-17)11-16-4-2-15(10-23)3-5-16/h6-9,13,15-16H,2-5,10-12,14,23H2,1H3.
What are the key properties of [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine?
[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine has a molecular weight of 395.38 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 142934351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).