N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide

C21H36N4O — CID 166401298

IUPACN-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
SMILESCn1nc(C2CCCN2)cc1C(=O)NC(CC1CCCCC1)C(C)(C)C
InChIInChI=1S/C21H36N4O/c1-21(2,3)19(13-15-9-6-5-7-10-15)23-20(26)18-14-17(24-25(18)4)16-11-8-12-22-16/h14-16,19,22H,5-13H2,1-4H3,(H,23,26)
InChIKeyNMVUOXNDDTWCCV-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.96
Rot. Bonds5

About N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide

N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide (PubChem CID 166401298) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
PubChem CID166401298
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC NameN-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
SMILESCn1nc(C2CCCN2)cc1C(=O)NC(CC1CCCCC1)C(C)(C)C
InChIInChI=1S/C21H36N4O/c1-21(2,3)19(13-15-9-6-5-7-10-15)23-20(26)18-14-17(24-25(18)4)16-11-8-12-22-16/h14-16,19,22H,5-13H2,1-4H3,(H,23,26)
InChIKeyNMVUOXNDDTWCCV-UHFFFAOYSA-N
XLogP3.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide with MolForge

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Related Compounds

ethyl 3-cyclohexyl-2-[(1-methyl-3-pyrrolidin-2-ylpyrazole-5-carbonyl)amino]propanoate;hydrochloride
CID 166303795
1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone
CID 115092631
N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95628579
N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
CID 166303769
1-methyl-N-[3-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-3-pyrrolidin-2-ylpyrazole-5-carboxamide
CID 166331786
1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 166303808
N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)carbamoyl fluoride
CID 171733283
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide
CID 171733091
N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 67555455
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 171733325
2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 155272214
2-[[2-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-4-yl]amino]-1-piperidin-1-ylethanone
CID 95825474

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide (CID 166401298) is N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide is Cn1nc(C2CCCN2)cc1C(=O)NC(CC1CCCCC1)C(C)(C)C.
What is the InChIKey of N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide?
The InChIKey is NMVUOXNDDTWCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-21(2,3)19(13-15-9-6-5-7-10-15)23-20(26)18-14-17(24-25(18)4)16-11-8-12-22-16/h14-16,19,22H,5-13H2,1-4H3,(H,23,26).
What are the key properties of N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide?
N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide has a molecular weight of 360.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 166401298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).