3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide

C24H33N5O3 — CID 127249275

IUPAC3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C24H33N5O3/c1-28(2)23(31)24(14-17-13-20(27-32-17)16-7-4-3-5-8-16)11-12-29(15-24)22(30)21-18-9-6-10-19(18)25-26-21/h13,16H,3-12,14-15H2,1-2H3,(H,25,26)
InChIKeyJBZCUHNKSDAPBU-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.10
Rot. Bonds5

About 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide

3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 127249275) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID127249275
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C24H33N5O3/c1-28(2)23(31)24(14-17-13-20(27-32-17)16-7-4-3-5-8-16)11-12-29(15-24)22(30)21-18-9-6-10-19(18)25-26-21/h13,16H,3-12,14-15H2,1-2H3,(H,25,26)
InChIKeyJBZCUHNKSDAPBU-UHFFFAOYSA-N
XLogP3.10
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 127249231
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide
CID 127249241
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 120807481
2-(3-methyl-1,2-oxazol-5-yl)-1-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134713194
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 45209392
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)methanone
CID 110123275
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide
CID 127249251
[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 135096801
(3R)-1-(2-cyclopentylacetyl)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855544
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide
CID 127249268
(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855491
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide (CID 127249275) is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide is CN(C)C(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1.
What is the InChIKey of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is JBZCUHNKSDAPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-28(2)23(31)24(14-17-13-20(27-32-17)16-7-4-3-5-8-16)11-12-29(15-24)22(30)21-18-9-6-10-19(18)25-26-21/h13,16H,3-12,14-15H2,1-2H3,(H,25,26).
What are the key properties of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide?
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 127249275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).