(3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide

C17H21N5O — CID 167827489

IUPAC(3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide
SMILESCc1[nH]nc(NC(=O)[C@]23CCC[C@H]2NCC3)c1-c1cccnc1
InChIInChI=1S/C17H21N5O/c1-11-14(12-4-3-8-18-10-12)15(22-21-11)20-16(23)17-6-2-5-13(17)19-9-7-17/h3-4,8,10,13,19H,2,5-7,9H2,1H3,(H2,20,21,22,23)/t13-,17+/m1/s1
InChIKeyJWFCIXSNFNTUEN-DYVFJYSZSA-N
MW311.39 g/mol
LogP2.25
Rot. Bonds3

About (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide

(3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide (PubChem CID 167827489) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide
PubChem CID167827489
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide
SMILESCc1[nH]nc(NC(=O)[C@]23CCC[C@H]2NCC3)c1-c1cccnc1
InChIInChI=1S/C17H21N5O/c1-11-14(12-4-3-8-18-10-12)15(22-21-11)20-16(23)17-6-2-5-13(17)19-9-7-17/h3-4,8,10,13,19H,2,5-7,9H2,1H3,(H2,20,21,22,23)/t13-,17+/m1/s1
InChIKeyJWFCIXSNFNTUEN-DYVFJYSZSA-N
XLogP2.25
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide with MolForge

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Related Compounds

(3aS,6aR)-N-(4-chloro-1-propan-2-ylpyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide
CID 138056694
(3aS,8aR)-1-methyl-N-pyridin-3-yl-2,3,4,5,6,7,8,8a-octahydropyrrolo[2,3-d]azepine-3a-carboxamide
CID 154776384
4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide
CID 144590337
1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 138020489
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide
CID 53198450
2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine
CID 95846608
5-(2,2-dimethylcyclohexyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 107179267
(3aS,6aR)-2-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063296
3-(1-pyrrolidin-2-ylcyclohexyl)pyridine
CID 83911588
N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyloxolane-2-carboxamide
CID 167982740
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 70788637

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide (CID 167827489) is (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide is Cc1[nH]nc(NC(=O)[C@]23CCC[C@H]2NCC3)c1-c1cccnc1.
What is the InChIKey of (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide?
The InChIKey is JWFCIXSNFNTUEN-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-14(12-4-3-8-18-10-12)15(22-21-11)20-16(23)17-6-2-5-13(17)19-9-7-17/h3-4,8,10,13,19H,2,5-7,9H2,1H3,(H2,20,21,22,23)/t13-,17+/m1/s1.
What are the key properties of (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide?
(3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-(5-methyl-4-pyridin-3-yl-1H-pyrazol-3-yl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-3a-carboxamide is sourced from PubChem (CID 167827489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).