N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide

C21H29N5O2 — CID 52690357

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1
InChIInChI=1S/C21H29N5O2/c1-14(2)22-21(28)23-17-10-6-9-16(12-17)20(27)24-19-13-18(25-26-19)11-15-7-4-3-5-8-15/h6,9-10,12-15H,3-5,7-8,11H2,1-2H3,(H2,22,23,28)(H2,24,25,26,27)
InChIKeyJAJDFPZBXKEPFY-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.31
Rot. Bonds6

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 52690357) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID52690357
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1
InChIInChI=1S/C21H29N5O2/c1-14(2)22-21(28)23-17-10-6-9-16(12-17)20(27)24-19-13-18(25-26-19)11-15-7-4-3-5-8-15/h6,9-10,12-15H,3-5,7-8,11H2,1-2H3,(H2,22,23,28)(H2,24,25,26,27)
InChIKeyJAJDFPZBXKEPFY-UHFFFAOYSA-N
XLogP4.31
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(methylsulfamoyl)phenyl]urea
CID 126767720
2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 56552360
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 56553284
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 126779463
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56552832
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 126774705
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 13206616
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
CID 56552988
N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 52690357) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is JAJDFPZBXKEPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14(2)22-21(28)23-17-10-6-9-16(12-17)20(27)24-19-13-18(25-26-19)11-15-7-4-3-5-8-15/h6,9-10,12-15H,3-5,7-8,11H2,1-2H3,(H2,22,23,28)(H2,24,25,26,27).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 383.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 52690357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).