(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide

C15H24N4O2 — CID 95724851

IUPAC(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C15H24N4O2/c1-19(15(20)14-9-16-7-8-21-14)10-13-11-5-3-2-4-6-12(11)17-18-13/h14,16H,2-10H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyJYUNVVMFUQKBGD-CQSZACIVSA-N
MW292.38 g/mol
LogP0.63
Rot. Bonds3

About (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide

(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide (PubChem CID 95724851) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
PubChem CID95724851
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C15H24N4O2/c1-19(15(20)14-9-16-7-8-21-14)10-13-11-5-3-2-4-6-12(11)17-18-13/h14,16H,2-10H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyJYUNVVMFUQKBGD-CQSZACIVSA-N
XLogP0.63
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide
CID 95725642
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125445973
N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide
CID 56917601
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 139598776
(1S,3S,4S)-3-amino-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-hydroxy-N-methylcyclopentane-1-carboxamide
CID 154818211
N-methyl-N-(oxolan-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 119708798
N-(2-hydroxypropyl)-N-methylmorpholine-2-carboxamide
CID 62333960
N-(1H-imidazol-2-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 64519803
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172668754
(2R)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124557647
N-[(4-methoxy-3-methylphenyl)methyl]-N-methylmorpholine-2-carboxamide
CID 119766949

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide (CID 95724851) is (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide?
The InChIKey is JYUNVVMFUQKBGD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19(15(20)14-9-16-7-8-21-14)10-13-11-5-3-2-4-6-12(11)17-18-13/h14,16H,2-10H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide?
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 95724851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).