N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide

C15H24N4O2 — CID 119794227

IUPACN-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide
SMILESO=C(Nc1cc(C2CCCCCC2)[nH]n1)C1COCCN1
InChIInChI=1S/C15H24N4O2/c20-15(13-10-21-8-7-16-13)17-14-9-12(18-19-14)11-5-3-1-2-4-6-11/h9,11,13,16H,1-8,10H2,(H2,17,18,19,20)
InChIKeyKWDWBKACIUFQEY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.77
Rot. Bonds3

About N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide

N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide (PubChem CID 119794227) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide
PubChem CID119794227
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide
SMILESO=C(Nc1cc(C2CCCCCC2)[nH]n1)C1COCCN1
InChIInChI=1S/C15H24N4O2/c20-15(13-10-21-8-7-16-13)17-14-9-12(18-19-14)11-5-3-1-2-4-6-11/h9,11,13,16H,1-8,10H2,(H2,17,18,19,20)
InChIKeyKWDWBKACIUFQEY-UHFFFAOYSA-N
XLogP1.77
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide?
The IUPAC name of N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide (CID 119794227) is N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide.
What is the SMILES notation for N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide?
The canonical SMILES for N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide is O=C(Nc1cc(C2CCCCCC2)[nH]n1)C1COCCN1.
What is the InChIKey of N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide?
The InChIKey is KWDWBKACIUFQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-15(13-10-21-8-7-16-13)17-14-9-12(18-19-14)11-5-3-1-2-4-6-11/h9,11,13,16H,1-8,10H2,(H2,17,18,19,20).
What are the key properties of N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide?
N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cycloheptyl-1H-pyrazol-3-yl)morpholine-3-carboxamide is sourced from PubChem (CID 119794227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).