N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C12H17N3O — CID 47289727

IUPACN-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(NC(=O)C2CC3CCC2C3)n[nH]1
InChIInChI=1S/C12H17N3O/c1-7-4-11(15-14-7)13-12(16)10-6-8-2-3-9(10)5-8/h4,8-10H,2-3,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyYKHNCWFDUNJCAJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.09
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47289727) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47289727
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(NC(=O)C2CC3CCC2C3)n[nH]1
InChIInChI=1S/C12H17N3O/c1-7-4-11(15-14-7)13-12(16)10-6-8-2-3-9(10)5-8/h4,8-10H,2-3,5-6H2,1H3,(H2,13,14,15,16)
InChIKeyYKHNCWFDUNJCAJ-UHFFFAOYSA-N
XLogP2.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 112690355
N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide
CID 81096057
(1R,2S,4S)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6593221
(1S,2S,4R)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 1205649
(1R,2R,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278427
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304
(1R,2S,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278428
(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 47289727) is N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(NC(=O)C2CC3CCC2C3)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YKHNCWFDUNJCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7-4-11(15-14-7)13-12(16)10-6-8-2-3-9(10)5-8/h4,8-10H,2-3,5-6H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47289727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).