1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea

C17H13F3N4O2 — CID 137492820

IUPAC1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1[nH]ncc1F
InChIInChI=1S/C17H13F3N4O2/c1-26-15-5-3-9(6-11(15)16-14(20)8-21-24-16)22-17(25)23-10-2-4-12(18)13(19)7-10/h2-8H,1H3,(H,21,24)(H2,22,23,25)
InChIKeyTVNCQFKKMVAOQT-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.15
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea

1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea (PubChem CID 137492820) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea
PubChem CID137492820
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1[nH]ncc1F
InChIInChI=1S/C17H13F3N4O2/c1-26-15-5-3-9(6-11(15)16-14(20)8-21-24-16)22-17(25)23-10-2-4-12(18)13(19)7-10/h2-8H,1H3,(H,21,24)(H2,22,23,25)
InChIKeyTVNCQFKKMVAOQT-UHFFFAOYSA-N
XLogP4.15
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
1-(3,4-difluorophenyl)-3-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 166962849
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
CID 108875557
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
1-(3,4-difluorophenyl)-3-[4-methoxy-3-[1-[(methylideneamino)-propan-2-ylamino]ethenyl]phenyl]urea
CID 142996283
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216738
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 114840514
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea (CID 137492820) is 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea is COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1[nH]ncc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea?
The InChIKey is TVNCQFKKMVAOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-26-15-5-3-9(6-11(15)16-14(20)8-21-24-16)22-17(25)23-10-2-4-12(18)13(19)7-10/h2-8H,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea?
1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea has a molecular weight of 362.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[3-(4-fluoro-1H-pyrazol-5-yl)-4-methoxyphenyl]urea is sourced from PubChem (CID 137492820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).