(4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one

C19H32N4O — CID 25277492

IUPAC(4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCCCn1ncc(CN[C@H]2CC(=O)N(CC3CCCCC3)C2)c1C
InChIInChI=1S/C19H32N4O/c1-3-9-23-15(2)17(12-21-23)11-20-18-10-19(24)22(14-18)13-16-7-5-4-6-8-16/h12,16,18,20H,3-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyWGEIIALIAHVFKN-SFHVURJKSA-N
MW332.49 g/mol
LogP2.87
Rot. Bonds7

About (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one

(4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 25277492) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID25277492
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCCCn1ncc(CN[C@H]2CC(=O)N(CC3CCCCC3)C2)c1C
InChIInChI=1S/C19H32N4O/c1-3-9-23-15(2)17(12-21-23)11-20-18-10-19(24)22(14-18)13-16-7-5-4-6-8-16/h12,16,18,20H,3-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyWGEIIALIAHVFKN-SFHVURJKSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
CID 5307336
1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143
N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 110244221
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)-N-methylacetamide
CID 50968875
rac-(4R,5S)-4-amino-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 79583778
(1S,11R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199320
(1S,11R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199321
(1S,11R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199417
(1S,11R)-2-[2-(3-methylpyrazol-1-yl)acetyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201270
(8aR,11aS)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201603

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 25277492) is (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one is CCCn1ncc(CN[C@H]2CC(=O)N(CC3CCCCC3)C2)c1C.
What is the InChIKey of (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is WGEIIALIAHVFKN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-9-23-15(2)17(12-21-23)11-20-18-10-19(24)22(14-18)13-16-7-5-4-6-8-16/h12,16,18,20H,3-11,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
(4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 332.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 25277492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).