1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

C16H20F2N4O2 — CID 111334591

IUPAC1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCn1cc(CCNC(=O)NCC(C)(O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C16H20F2N4O2/c1-16(24,13-4-3-12(17)7-14(13)18)10-20-15(23)19-6-5-11-8-21-22(2)9-11/h3-4,7-9,24H,5-6,10H2,1-2H3,(H2,19,20,23)
InChIKeyOVDNNHVEEYIGRV-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 111334591) has the molecular formula C16H20F2N4O2 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID111334591
Molecular FormulaC16H20F2N4O2
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Name1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCn1cc(CCNC(=O)NCC(C)(O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C16H20F2N4O2/c1-16(24,13-4-3-12(17)7-14(13)18)10-20-15(23)19-6-5-11-8-21-22(2)9-11/h3-4,7-9,24H,5-6,10H2,1-2H3,(H2,19,20,23)
InChIKeyOVDNNHVEEYIGRV-UHFFFAOYSA-N
XLogP1.45
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457977
1-[2-(4-ethylphenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458114
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71856953
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
4-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethylsulfonyl)aniline
CID 133283529
1-(2-hydroxy-2,3-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111121182
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111334569
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 111334647
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea (CID 111334591) is 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea is Cn1cc(CCNC(=O)NCC(C)(O)c2ccc(F)cc2F)cn1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is OVDNNHVEEYIGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2/c1-16(24,13-4-3-12(17)7-14(13)18)10-20-15(23)19-6-5-11-8-21-22(2)9-11/h3-4,7-9,24H,5-6,10H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 338.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 111334591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).