5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide

C20H26N4O2 — CID 126779463

IUPAC5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
SMILESCC(=O)Nc1ccc(C)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1
InChIInChI=1S/C20H26N4O2/c1-13-8-9-16(21-14(2)25)11-18(13)20(26)22-19-12-17(23-24-19)10-15-6-4-3-5-7-15/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyDHWJYXBGKPYYJY-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.05
Rot. Bonds5

About 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide

5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide (PubChem CID 126779463) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
PubChem CID126779463
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
SMILESCC(=O)Nc1ccc(C)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1
InChIInChI=1S/C20H26N4O2/c1-13-8-9-16(21-14(2)25)11-18(13)20(26)22-19-12-17(23-24-19)10-15-6-4-3-5-7-15/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,21,25)(H2,22,23,24,26)
InChIKeyDHWJYXBGKPYYJY-UHFFFAOYSA-N
XLogP4.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
CID 56552988
2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
CID 55863420
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide
CID 56553247
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 52690357
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]-2-propylsulfanylacetamide
CID 56552898
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(methylsulfamoyl)phenyl]urea
CID 126767720
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 126774705
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 75477436
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56552832

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide (CID 126779463) is 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide is CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1.
What is the InChIKey of 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is DHWJYXBGKPYYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-8-9-16(21-14(2)25)11-18(13)20(26)22-19-12-17(23-24-19)10-15-6-4-3-5-7-15/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide?
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 126779463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).