(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

C16H27N5O — CID 96997890

IUPAC(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)n1
InChIInChI=1S/C16H27N5O/c1-19(2)11-12-20-10-8-15(18-20)17-16(22)21-9-4-6-13-5-3-7-14(13)21/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,17,18,22)/t13-,14+/m0/s1
InChIKeyMGCBZTYZVHFPBH-UONOGXRCSA-N
MW305.43 g/mol
LogP2.24
Rot. Bonds4

About (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide

(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (PubChem CID 96997890) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.

Molecular Properties

Compound Name(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
PubChem CID96997890
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)n1
InChIInChI=1S/C16H27N5O/c1-19(2)11-12-20-10-8-15(18-20)17-16(22)21-9-4-6-13-5-3-7-14(13)21/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,17,18,22)/t13-,14+/m0/s1
InChIKeyMGCBZTYZVHFPBH-UONOGXRCSA-N
XLogP2.24
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide with MolForge

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Related Compounds

3-cyclohexyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
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3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870150
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide
CID 139006084
3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide
CID 126793400
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 86799787
(2S)-2-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 146103670
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
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(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 96999721
(4aS,7aS)-N-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97350302
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60608073
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The IUPAC name of (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide (CID 96997890) is (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide.
What is the SMILES notation for (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The canonical SMILES for (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is CN(C)CCn1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)n1.
What is the InChIKey of (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
The InChIKey is MGCBZTYZVHFPBH-UONOGXRCSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19(2)11-12-20-10-8-15(18-20)17-16(22)21-9-4-6-13-5-3-7-14(13)21/h8,10,13-14H,3-7,9,11-12H2,1-2H3,(H,17,18,22)/t13-,14+/m0/s1.
What are the key properties of (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide?
(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide is sourced from PubChem (CID 96997890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).