1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea

C18H21N5O2 — CID 71861150

IUPAC1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1cccc(-n2cccn2)c1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H21N5O2/c24-17-10-14(12-22(17)15-5-6-15)21-18(25)19-11-13-3-1-4-16(9-13)23-8-2-7-20-23/h1-4,7-9,14-15H,5-6,10-12H2,(H2,19,21,25)
InChIKeyJMDFKTFCAXXJTM-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.43
Rot. Bonds5

About 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea

1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 71861150) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
PubChem CID71861150
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1cccc(-n2cccn2)c1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C18H21N5O2/c24-17-10-14(12-22(17)15-5-6-15)21-18(25)19-11-13-3-1-4-16(9-13)23-8-2-7-20-23/h1-4,7-9,14-15H,5-6,10-12H2,(H2,19,21,25)
InChIKeyJMDFKTFCAXXJTM-UHFFFAOYSA-N
XLogP1.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122005360
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966924
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966975
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
(3S)-1-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 95629383
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 96506763
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 86967097
1-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 16819859
1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea
CID 165120008
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
CID 100862018
1-cyclopentyl-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55636175

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea (CID 71861150) is 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea is O=C(NCc1cccc(-n2cccn2)c1)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is JMDFKTFCAXXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-10-14(12-22(17)15-5-6-15)21-18(25)19-11-13-3-1-4-16(9-13)23-8-2-7-20-23/h1-4,7-9,14-15H,5-6,10-12H2,(H2,19,21,25).
What are the key properties of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 339.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 71861150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).