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

C19H31N5O2 — CID 97196515

IUPAC(3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@H](C(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC1=O
InChIInChI=1S/C19H31N5O2/c1-22(2)9-10-24-12-14(11-18(24)25)19(26)23(3)13-17-15-7-5-4-6-8-16(15)20-21-17/h14H,4-13H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyLTKLHVYOUFRGIX-CQSZACIVSA-N
MW361.49 g/mol
LogP1.05
Rot. Bonds6

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

(3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97196515) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97196515
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@H](C(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC1=O
InChIInChI=1S/C19H31N5O2/c1-22(2)9-10-24-12-14(11-18(24)25)19(26)23(3)13-17-15-7-5-4-6-8-16(15)20-21-17/h14H,4-13H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyLTKLHVYOUFRGIX-CQSZACIVSA-N
XLogP1.05
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[2-(dimethylamino)ethyl]-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-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97123779
1-[(3-fluorophenyl)methyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 56715379
(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
(3R)-1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95226609
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
(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
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 95724851
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119654808
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (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) is (3R)-1-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1C[C@H](C(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC1=O.
What is the InChIKey of (3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LTKLHVYOUFRGIX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22(2)9-10-24-12-14(11-18(24)25)19(26)23(3)13-17-15-7-5-4-6-8-16(15)20-21-17/h14H,4-13H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97196515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).