1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea

C15H16F2N4O2 — CID 71810265

IUPAC1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(C2CCOCC2)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O2/c16-12-2-1-3-13(17)14(12)20-15(22)19-10-8-18-21(9-10)11-4-6-23-7-5-11/h1-3,8-9,11H,4-7H2,(H2,19,20,22)
InChIKeyZXVDEGPFMRBUHP-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.16
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea

1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (PubChem CID 71810265) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
PubChem CID71810265
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(C2CCOCC2)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H16F2N4O2/c16-12-2-1-3-13(17)14(12)20-15(22)19-10-8-18-21(9-10)11-4-6-23-7-5-11/h1-3,8-9,11H,4-7H2,(H2,19,20,22)
InChIKeyZXVDEGPFMRBUHP-UHFFFAOYSA-N
XLogP3.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
1-(4-Fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45814217
1-[1-(2,6-Difluorophenyl)propan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45833087
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53502526
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide
CID 53503603
4-(4-fluorophenyl)-N-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperazine-1-carboxamide
CID 56762171
1-(5-Fluoro-2-pyrazol-1-ylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 56782657
N-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}-4-phenylpiperazine-1-carboxamide
CID 60178384
3-[[1-(2-fluorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide
CID 71856029
1-(5-Fluoro-2-pyrazol-1-ylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 71992284
2-(4-amino-1H-pyrazol-1-yl)-N-(2,3-difluorophenyl)acetamide
CID 16067954
1-(1-Tert-butylpyrazol-4-yl)-3-(3-fluorophenyl)urea
CID 47467066

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (CID 71810265) is 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is O=C(Nc1cnn(C2CCOCC2)c1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The InChIKey is ZXVDEGPFMRBUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c16-12-2-1-3-13(17)14(12)20-15(22)19-10-8-18-21(9-10)11-4-6-23-7-5-11/h1-3,8-9,11H,4-7H2,(H2,19,20,22).
What are the key properties of 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea has a molecular weight of 322.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 71810265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).