4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid

C24H27N3O2 — CID 120509853

IUPAC4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-17-7-9-18(10-8-17)23-20(16-27(26-23)22-5-3-2-4-6-22)15-25-21-13-11-19(12-14-21)24(28)29/h2-10,16,19,21,25H,11-15H2,1H3,(H,28,29)
InChIKeyKFMDPPXITSANFJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.58
Rot. Bonds6

About 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid

4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120509853) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
PubChem CID120509853
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-17-7-9-18(10-8-17)23-20(16-27(26-23)22-5-3-2-4-6-22)15-25-21-13-11-19(12-14-21)24(28)29/h2-10,16,19,21,25H,11-15H2,1H3,(H,28,29)
InChIKeyKFMDPPXITSANFJ-UHFFFAOYSA-N
XLogP4.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509648
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820
4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509868
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 42215151
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid (CID 120509853) is 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid is Cc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is KFMDPPXITSANFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-7-9-18(10-8-17)23-20(16-27(26-23)22-5-3-2-4-6-22)15-25-21-13-11-19(12-14-21)24(28)29/h2-10,16,19,21,25H,11-15H2,1H3,(H,28,29).
What are the key properties of 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid?
4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 389.50 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120509853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).