N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

C25H28N4O2 — CID 117074983

IUPACN-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NC4CCCCC4)c3)c2)c1
InChIInChI=1S/C25H28N4O2/c1-18-7-5-8-19(13-18)14-24(30)27-22-16-26-29(17-22)23-12-6-9-20(15-23)25(31)28-21-10-3-2-4-11-21/h5-9,12-13,15-17,21H,2-4,10-11,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyZCXRJHLMXQTAMM-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.42
Rot. Bonds6

About N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (PubChem CID 117074983) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
PubChem CID117074983
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NC4CCCCC4)c3)c2)c1
InChIInChI=1S/C25H28N4O2/c1-18-7-5-8-19(13-18)14-24(30)27-22-16-26-29(17-22)23-12-6-9-20(15-23)25(31)28-21-10-3-2-4-11-21/h5-9,12-13,15-17,21H,2-4,10-11,14H2,1H3,(H,27,30)(H,28,31)
InChIKeyZCXRJHLMXQTAMM-UHFFFAOYSA-N
XLogP4.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076294
3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 117075185
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
N-[(1R,3S)-3-aminocyclohexyl]-3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 117075859
N-[(1R)-3-aminocyclohexyl]-3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 117075861
N-[1-[3-[3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
CID 45205259
N-[1-[3-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]phenyl]pyrazol-4-yl]-2-(3-methylphenyl)acetamide
CID 42481734
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26279343
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42238129

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The IUPAC name of N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (CID 117074983) is N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NC4CCCCC4)c3)c2)c1.
What is the InChIKey of N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The InChIKey is ZCXRJHLMXQTAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-7-5-8-19(13-18)14-24(30)27-22-16-26-29(17-22)23-12-6-9-20(15-23)25(31)28-21-10-3-2-4-11-21/h5-9,12-13,15-17,21H,2-4,10-11,14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 117074983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).