(3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C18H28N4O2 — CID 97129425

IUPAC(3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H28N4O2/c1-20(9-5-6-14-11-19-21(2)12-14)18(24)15-10-17(23)22(13-15)16-7-3-4-8-16/h11-12,15-16H,3-10,13H2,1-2H3/t15-/m1/s1
InChIKeyNOUCUNWTURLFQN-OAHLLOKOSA-N
MW332.45 g/mol
LogP1.60
Rot. Bonds6

About (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97129425) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97129425
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H28N4O2/c1-20(9-5-6-14-11-19-21(2)12-14)18(24)15-10-17(23)22(13-15)16-7-3-4-8-16/h11-12,15-16H,3-10,13H2,1-2H3/t15-/m1/s1
InChIKeyNOUCUNWTURLFQN-OAHLLOKOSA-N
XLogP1.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741608
(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97186593
(3R)-N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 94099738
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163
(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97116300
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 125167246
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266510
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 72907952
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
1-cyclopentyl-N-methyl-5-oxo-N-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 70738906

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 97129425) is (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is CN(CCCc1cnn(C)c1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NOUCUNWTURLFQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20(9-5-6-14-11-19-21(2)12-14)18(24)15-10-17(23)22(13-15)16-7-3-4-8-16/h11-12,15-16H,3-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97129425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).