(3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C16H26N4O2 — CID 120936377

IUPAC(3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCN(CCOCC1CC1)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H26N4O2/c1-19(5-6-22-11-12-3-4-12)16(21)15-9-17-8-14(15)13-7-18-20(2)10-13/h7,10,12,14-15,17H,3-6,8-9,11H2,1-2H3/t14-,15+/m1/s1
InChIKeyLZFQFHDMNRRALZ-CABCVRRESA-N
MW306.41 g/mol
LogP0.61
Rot. Bonds7

About (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120936377) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120936377
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCN(CCOCC1CC1)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H26N4O2/c1-19(5-6-22-11-12-3-4-12)16(21)15-9-17-8-14(15)13-7-18-20(2)10-13/h7,10,12,14-15,17H,3-6,8-9,11H2,1-2H3/t14-,15+/m1/s1
InChIKeyLZFQFHDMNRRALZ-CABCVRRESA-N
XLogP0.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120919602
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
(3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925181
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120942946
(3R,4S)-N-[(4-ethylphenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918369
[4-[(dimethylamino)methyl]piperidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120939318
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 120942184
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120935945
(3R,4S)-N-[(2-fluorophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918484
(3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
CID 120927479
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 120919350
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120942582

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120936377) is (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CN(CCOCC1CC1)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.
What is the InChIKey of (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is LZFQFHDMNRRALZ-CABCVRRESA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19(5-6-22-11-12-3-4-12)16(21)15-9-17-8-14(15)13-7-18-20(2)10-13/h7,10,12,14-15,17H,3-6,8-9,11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120936377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).