N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide

C24H27N5O3 — CID 117076294

IUPACN-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
SMILESCc1cccc(NC(=O)Nc2cnn(-c3cccc(C(=O)NC4CCC(O)CC4)c3)c2)c1
InChIInChI=1S/C24H27N5O3/c1-16-4-2-6-19(12-16)27-24(32)28-20-14-25-29(15-20)21-7-3-5-17(13-21)23(31)26-18-8-10-22(30)11-9-18/h2-7,12-15,18,22,30H,8-11H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeyOLNVUXTZDWLQTG-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.86
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide

N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide (PubChem CID 117076294) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
PubChem CID117076294
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
SMILESCc1cccc(NC(=O)Nc2cnn(-c3cccc(C(=O)NC4CCC(O)CC4)c3)c2)c1
InChIInChI=1S/C24H27N5O3/c1-16-4-2-6-19(12-16)27-24(32)28-20-14-25-29(15-20)21-7-3-5-17(13-21)23(31)26-18-8-10-22(30)11-9-18/h2-7,12-15,18,22,30H,8-11H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeyOLNVUXTZDWLQTG-UHFFFAOYSA-N
XLogP3.86
TPSA108.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
CID 117076127
N-cyclohexyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117074983
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
CID 87057580
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
N-(3-cyanophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 117075038
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-benzyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 42344718
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide (CID 117076294) is N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide is Cc1cccc(NC(=O)Nc2cnn(-c3cccc(C(=O)NC4CCC(O)CC4)c3)c2)c1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide?
The InChIKey is OLNVUXTZDWLQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-4-2-6-19(12-16)27-24(32)28-20-14-25-29(15-20)21-7-3-5-17(13-21)23(31)26-18-8-10-22(30)11-9-18/h2-7,12-15,18,22,30H,8-11H2,1H3,(H,26,31)(H2,27,28,32).
What are the key properties of N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide?
N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 117076294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).