1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

C15H16FN5O2 — CID 155949446

IUPAC1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)Nc2cnn(-c3ccccc3F)c2)C1=O
InChIInChI=1S/C15H16FN5O2/c1-20-7-6-12(14(20)22)19-15(23)18-10-8-17-21(9-10)13-5-3-2-4-11(13)16/h2-5,8-9,12H,6-7H2,1H3,(H2,18,19,23)
InChIKeyGYLIMQLLLLAJJI-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.36
Rot. Bonds3

About 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (PubChem CID 155949446) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
PubChem CID155949446
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)Nc2cnn(-c3ccccc3F)c2)C1=O
InChIInChI=1S/C15H16FN5O2/c1-20-7-6-12(14(20)22)19-15(23)18-10-8-17-21(9-10)13-5-3-2-4-11(13)16/h2-5,8-9,12H,6-7H2,1H3,(H2,18,19,23)
InChIKeyGYLIMQLLLLAJJI-UHFFFAOYSA-N
XLogP1.36
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 136521264
1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[1-(2-fluorophenyl)pyrazol-4-yl]urea
CID 86770951
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
2-fluoro-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258332
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
CID 119329634
5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
CID 106258258
1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
CID 95979903
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71856412
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 97029592

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (CID 155949446) is 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is CN1CCC(NC(=O)Nc2cnn(-c3ccccc3F)c2)C1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The InChIKey is GYLIMQLLLLAJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-20-7-6-12(14(20)22)19-15(23)18-10-8-17-21(9-10)13-5-3-2-4-11(13)16/h2-5,8-9,12H,6-7H2,1H3,(H2,18,19,23).
What are the key properties of 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea has a molecular weight of 317.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 155949446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).