cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C21H33N5O2 — CID 164632896

IUPACcis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c(N2CCCC2)nn1C
InChIInChI=1S/C21H33N5O2/c1-15-18(19(23-24(15)2)25-11-5-6-12-25)22-20(27)16-9-3-4-10-17(16)21(28)26-13-7-8-14-26/h16-17H,3-14H2,1-2H3,(H,22,27)/t16-,17+/m1/s1
InChIKeyCQMCKNUDFKJQPB-SJORKVTESA-N
MW387.53 g/mol
LogP2.70
Rot. Bonds4

About cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 164632896) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID164632896
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Namecis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c(N2CCCC2)nn1C
InChIInChI=1S/C21H33N5O2/c1-15-18(19(23-24(15)2)25-11-5-6-12-25)22-20(27)16-9-3-4-10-17(16)21(28)26-13-7-8-14-26/h16-17H,3-14H2,1-2H3,(H,22,27)/t16-,17+/m1/s1
InChIKeyCQMCKNUDFKJQPB-SJORKVTESA-N
XLogP2.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 132319190
cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 164638763
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-cyclohexylpropanamide
CID 80359531
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-cyclohexylacetamide
CID 80360245
N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-butylcyclohexane-1-carboxamide
CID 80366001
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174959
rac-(1S,2R)-N-(1,5-dimethyl-3-pyrrolidin-1-yl-1H-pyrazol-4-yl)-2-(pyrrolidin-1-ylcarbonyl)cyclohexanecarboxamide
CID 132406368
rac-(1S,2R)-N-(3-ethyl-1,4-dimethyl-1H-pyrazol-5-yl)-2-(pyrrolidin-1-ylcarbonyl)cyclohexanecarboxamide
CID 132411766
rac-(1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-yl-1H-pyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134697688
rac-(1S,2R)-N-(3-methyl-1-propyl-1H-pyrazol-5-yl)-2-(pyrrolidin-1-ylcarbonyl)cyclohexanecarboxamide
CID 134713536

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 164632896) is cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c(N2CCCC2)nn1C.
What is the InChIKey of cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is CQMCKNUDFKJQPB-SJORKVTESA-N. The full InChI is InChI=1S/C21H33N5O2/c1-15-18(19(23-24(15)2)25-11-5-6-12-25)22-20(27)16-9-3-4-10-17(16)21(28)26-13-7-8-14-26/h16-17H,3-14H2,1-2H3,(H,22,27)/t16-,17+/m1/s1.
What are the key properties of cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 164632896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).