1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea

C17H27N5O2 — CID 96527660

IUPAC1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1c(C)nn(C)c1C
InChIInChI=1S/C17H27N5O2/c1-5-14(16-10(2)20-21(4)11(16)3)19-17(24)18-12-8-15(23)22(9-12)13-6-7-13/h12-14H,5-9H2,1-4H3,(H2,18,19,24)/t12-,14-/m0/s1
InChIKeyUKUHFKGQWACAPQ-JSGCOSHPSA-N
MW333.44 g/mol
LogP1.55
Rot. Bonds5

About 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea

1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea (PubChem CID 96527660) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
PubChem CID96527660
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1c(C)nn(C)c1C
InChIInChI=1S/C17H27N5O2/c1-5-14(16-10(2)20-21(4)11(16)3)19-17(24)18-12-8-15(23)22(9-12)13-6-7-13/h12-14H,5-9H2,1-4H3,(H2,18,19,24)/t12-,14-/m0/s1
InChIKeyUKUHFKGQWACAPQ-JSGCOSHPSA-N
XLogP1.55
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97096469
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 96517507
(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 97242019
3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 75386997
1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 111508899
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methyl-3-(methylamino)propanamide
CID 119789623
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
CID 110719693
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
(2S,5R)-5-(aminomethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120795461
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea (CID 96527660) is 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea is CC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1c(C)nn(C)c1C.
What is the InChIKey of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
The InChIKey is UKUHFKGQWACAPQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-5-14(16-10(2)20-21(4)11(16)3)19-17(24)18-12-8-15(23)22(9-12)13-6-7-13/h12-14H,5-9H2,1-4H3,(H2,18,19,24)/t12-,14-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea?
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea has a molecular weight of 333.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 96527660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).