N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide

C21H29N5O — CID 157013558

IUPACN-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2C[C@H]3CC(N(C)C)C[C@H]3C2)cnn1-c1ccccn1
InChIInChI=1S/C21H29N5O/c1-14-19(13-23-26(14)20-7-5-6-8-22-20)21(27)25(4)18-11-15-9-17(24(2)3)10-16(15)12-18/h5-8,13,15-18H,9-12H2,1-4H3/t15-,16+,17?,18?
InChIKeyZJQDJNFWRPDQHY-OQSMONGASA-N
MW367.50 g/mol
LogP2.77
Rot. Bonds4

About N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 157013558) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID157013558
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2C[C@H]3CC(N(C)C)C[C@H]3C2)cnn1-c1ccccn1
InChIInChI=1S/C21H29N5O/c1-14-19(13-23-26(14)20-7-5-6-8-22-20)21(27)25(4)18-11-15-9-17(24(2)3)10-16(15)12-18/h5-8,13,15-18H,9-12H2,1-4H3/t15-,16+,17?,18?
InChIKeyZJQDJNFWRPDQHY-OQSMONGASA-N
XLogP2.77
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-ethyl-5-methyl-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46481510
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
N,5-dimethyl-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46399431
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylquinoxaline-2-carboxamide
CID 134696118
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(3-pyridin-3-ylcyclobutyl)pyrazole-4-carboxamide
CID 154847839
(3,5-dimethylpyrazol-1-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 15944096
[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 97066486
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanol
CID 66438330
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604825

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 157013558) is N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)C2C[C@H]3CC(N(C)C)C[C@H]3C2)cnn1-c1ccccn1.
What is the InChIKey of N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is ZJQDJNFWRPDQHY-OQSMONGASA-N. The full InChI is InChI=1S/C21H29N5O/c1-14-19(13-23-26(14)20-7-5-6-8-22-20)21(27)25(4)18-11-15-9-17(24(2)3)10-16(15)12-18/h5-8,13,15-18H,9-12H2,1-4H3/t15-,16+,17?,18?.
What are the key properties of N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 157013558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).