N-(1H-pyrazol-5-yl)cyclooctanecarboxamide

C12H19N3O — CID 65023446

IUPACN-(1H-pyrazol-5-yl)cyclooctanecarboxamide
SMILESO=C(Nc1ccn[nH]1)C1CCCCCCC1
InChIInChI=1S/C12H19N3O/c16-12(14-11-8-9-13-15-11)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H2,13,14,15,16)
InChIKeyKKBWNFFXVPBJGZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.71
Rot. Bonds2

About N-(1H-pyrazol-5-yl)cyclooctanecarboxamide

N-(1H-pyrazol-5-yl)cyclooctanecarboxamide (PubChem CID 65023446) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)cyclooctanecarboxamide
PubChem CID65023446
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(1H-pyrazol-5-yl)cyclooctanecarboxamide
SMILESO=C(Nc1ccn[nH]1)C1CCCCCCC1
InChIInChI=1S/C12H19N3O/c16-12(14-11-8-9-13-15-11)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H2,13,14,15,16)
InChIKeyKKBWNFFXVPBJGZ-UHFFFAOYSA-N
XLogP2.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-5-yl)cycloheptanecarboxamide
CID 60616368
(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 95299279
N-(1H-pyrazol-5-yl)thiane-2-carboxamide
CID 80595534
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 79504062
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130774690
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60971782
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 79503212
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)cyclooctanecarboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)cyclooctanecarboxamide (CID 65023446) is N-(1H-pyrazol-5-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)cyclooctanecarboxamide is O=C(Nc1ccn[nH]1)C1CCCCCCC1.
What is the InChIKey of N-(1H-pyrazol-5-yl)cyclooctanecarboxamide?
The InChIKey is KKBWNFFXVPBJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12(14-11-8-9-13-15-11)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H2,13,14,15,16).
What are the key properties of N-(1H-pyrazol-5-yl)cyclooctanecarboxamide?
N-(1H-pyrazol-5-yl)cyclooctanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)cyclooctanecarboxamide is sourced from PubChem (CID 65023446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).