N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide

C18H29N3O — CID 167951521

IUPACN-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide
SMILESCc1cn(C2CCCCC2)nc1NC(=O)C1(C(C)C)CCC1
InChIInChI=1S/C18H29N3O/c1-13(2)18(10-7-11-18)17(22)19-16-14(3)12-21(20-16)15-8-5-4-6-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,20,22)
InChIKeyDUTKJWWDSFYPGL-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.46
Rot. Bonds4

About N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide

N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 167951521) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide
PubChem CID167951521
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide
SMILESCc1cn(C2CCCCC2)nc1NC(=O)C1(C(C)C)CCC1
InChIInChI=1S/C18H29N3O/c1-13(2)18(10-7-11-18)17(22)19-16-14(3)12-21(20-16)15-8-5-4-6-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,20,22)
InChIKeyDUTKJWWDSFYPGL-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
CID 154781676
1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]urea
CID 136555016
3-bromo-1-cyclopentyl-4-methylpyrazole
CID 130138859
1-cyclohexyl-3-methylpyrazole-4-carbonyl chloride
CID 83814232
1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride
CID 156589572
3-(1-aminoethyl)-1-cyclopentylpyrazol-4-ol
CID 165467842
methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate
CID 107344569
2-[(1-cyclohexylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801326
1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 61272403
3-tert-butyl-1-cyclohexylpyrazole-4-carboxylic acid
CID 61270272
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810
N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide
CID 139021597

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide (CID 167951521) is N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide is Cc1cn(C2CCCCC2)nc1NC(=O)C1(C(C)C)CCC1.
What is the InChIKey of N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is DUTKJWWDSFYPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)18(10-7-11-18)17(22)19-16-14(3)12-21(20-16)15-8-5-4-6-9-15/h12-13,15H,4-11H2,1-3H3,(H,19,20,22).
What are the key properties of N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide?
N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-4-methylpyrazol-3-yl)-1-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 167951521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).