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

C11H17N3O — CID 60616368

IUPACN-(1H-pyrazol-5-yl)cycloheptanecarboxamide
SMILESO=C(Nc1ccn[nH]1)C1CCCCCC1
InChIInChI=1S/C11H17N3O/c15-11(13-10-7-8-12-14-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,12,13,14,15)
InChIKeyBNTCRZPVIJKVKL-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.32
Rot. Bonds2

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

N-(1H-pyrazol-5-yl)cycloheptanecarboxamide (PubChem CID 60616368) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)cycloheptanecarboxamide
PubChem CID60616368
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(1H-pyrazol-5-yl)cycloheptanecarboxamide
SMILESO=C(Nc1ccn[nH]1)C1CCCCCC1
InChIInChI=1S/C11H17N3O/c15-11(13-10-7-8-12-14-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,12,13,14,15)
InChIKeyBNTCRZPVIJKVKL-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 65023446
(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)cycloheptanecarboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)cycloheptanecarboxamide (CID 60616368) is N-(1H-pyrazol-5-yl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)cycloheptanecarboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)cycloheptanecarboxamide is O=C(Nc1ccn[nH]1)C1CCCCCC1.
What is the InChIKey of N-(1H-pyrazol-5-yl)cycloheptanecarboxamide?
The InChIKey is BNTCRZPVIJKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(13-10-7-8-12-14-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,12,13,14,15).
What are the key properties of N-(1H-pyrazol-5-yl)cycloheptanecarboxamide?
N-(1H-pyrazol-5-yl)cycloheptanecarboxamide has a molecular weight of 207.28 g/mol, XLogP of 2.32, 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)cycloheptanecarboxamide is sourced from PubChem (CID 60616368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).