1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

C14H17FN4O2 — CID 99835769

IUPAC1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(OC(C)C)cc2F)n[nH]1
InChIInChI=1S/C14H17FN4O2/c1-8(2)21-10-4-5-12(11(15)7-10)16-14(20)17-13-6-9(3)18-19-13/h4-8H,1-3H3,(H3,16,17,18,19,20)
InChIKeyQOBAAHVCOITKLM-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea

1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea (PubChem CID 99835769) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
PubChem CID99835769
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(OC(C)C)cc2F)n[nH]1
InChIInChI=1S/C14H17FN4O2/c1-8(2)21-10-4-5-12(11(15)7-10)16-14(20)17-13-6-9(3)18-19-13/h4-8H,1-3H3,(H3,16,17,18,19,20)
InChIKeyQOBAAHVCOITKLM-UHFFFAOYSA-N
XLogP3.29
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea (CID 99835769) is 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(OC(C)C)cc2F)n[nH]1.
What is the InChIKey of 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
The InChIKey is QOBAAHVCOITKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-8(2)21-10-4-5-12(11(15)7-10)16-14(20)17-13-6-9(3)18-19-13/h4-8H,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea?
1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea has a molecular weight of 292.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-yloxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 99835769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).