N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide

C13H19N3O — CID 53017410

IUPACN-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2c1CCCCCC2
InChIInChI=1S/C13H19N3O/c17-13(14-9-7-8-9)12-10-5-3-1-2-4-6-11(10)15-16-12/h9H,1-8H2,(H,14,17)(H,15,16)
InChIKeyMCMGOVDZZKVJSD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds2

About N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide

N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide (PubChem CID 53017410) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
PubChem CID53017410
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2c1CCCCCC2
InChIInChI=1S/C13H19N3O/c17-13(14-9-7-8-9)12-10-5-3-1-2-4-6-11(10)15-16-12/h9H,1-8H2,(H,14,17)(H,15,16)
InChIKeyMCMGOVDZZKVJSD-UHFFFAOYSA-N
XLogP1.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 25161455
5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161475
N-cyclopentyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163871
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
N-(cyclopropylmethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161457
N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161458
5-(2-methylbutan-2-yl)-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163410
N-[2-(1-cyclohexen-1-yl)ethyl]-3-propyl-1H-pyrazole-5-carboxamide
CID 37201814
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide
CID 47080056
4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 47426507

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide (CID 53017410) is N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide is O=C(NC1CC1)c1n[nH]c2c1CCCCCC2.
What is the InChIKey of N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide?
The InChIKey is MCMGOVDZZKVJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(14-9-7-8-9)12-10-5-3-1-2-4-6-11(10)15-16-12/h9H,1-8H2,(H,14,17)(H,15,16).
What are the key properties of N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide?
N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 53017410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).