1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea

C18H18FN5O — CID 86802352

IUPAC1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1ccnn1Cc1ccccc1F
InChIInChI=1S/C18H18FN5O/c19-16-7-2-1-5-14(16)13-24-17(9-12-22-24)23-18(25)21-11-8-15-6-3-4-10-20-15/h1-7,9-10,12H,8,11,13H2,(H2,21,23,25)
InChIKeyVPJPIGRANIEPKI-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea

1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 86802352) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID86802352
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)Nc1ccnn1Cc1ccccc1F
InChIInChI=1S/C18H18FN5O/c19-16-7-2-1-5-14(16)13-24-17(9-12-22-24)23-18(25)21-11-8-15-6-3-4-10-20-15/h1-7,9-10,12H,8,11,13H2,(H2,21,23,25)
InChIKeyVPJPIGRANIEPKI-UHFFFAOYSA-N
XLogP2.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 99714480
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 75435278
4-chloro-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 56802974
N-[3-[[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 86894062
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 75520831
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 11543968
6-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7356221
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea (CID 86802352) is 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea is O=C(NCCc1ccccn1)Nc1ccnn1Cc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is VPJPIGRANIEPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-16-7-2-1-5-14(16)13-24-17(9-12-22-24)23-18(25)21-11-8-15-6-3-4-10-20-15/h1-7,9-10,12H,8,11,13H2,(H2,21,23,25).
What are the key properties of 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea?
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 339.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 86802352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).