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

C18H26N4O2 — CID 97123779

IUPAC(3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H26N4O2/c1-21(11-16-14-5-3-2-4-6-15(14)19-20-16)18(24)12-9-17(23)22(10-12)13-7-8-13/h12-13H,2-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyFAAFPLKDNYCSGT-GFCCVEGCSA-N
MW330.43 g/mol
LogP1.65
Rot. Bonds4

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

(3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97123779) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97123779
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H26N4O2/c1-21(11-16-14-5-3-2-4-6-15(14)19-20-16)18(24)12-9-17(23)22(10-12)13-7-8-13/h12-13H,2-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyFAAFPLKDNYCSGT-GFCCVEGCSA-N
XLogP1.65
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97196515
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154820699
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 139598776
1-[(3-fluorophenyl)methyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 56715379
N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide
CID 56917601
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 95724851
1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
CID 72921377
(3S)-1-cyclopropyl-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97147806
(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99775238
1-cyclohexyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614196

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 97123779) is (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FAAFPLKDNYCSGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21(11-16-14-5-3-2-4-6-15(14)19-20-16)18(24)12-9-17(23)22(10-12)13-7-8-13/h12-13H,2-11H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97123779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).