1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea

C14H15FN4O2 — CID 122145730

IUPAC1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C14H15FN4O2/c15-12-6-9(4-5-13(12)21-11-2-1-3-11)18-14(20)19-10-7-16-17-8-10/h4-8,11H,1-3H2,(H,16,17)(H2,18,19,20)
InChIKeyLCJAPPGXGDSSNS-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea

1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea (PubChem CID 122145730) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
PubChem CID122145730
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)Nc1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C14H15FN4O2/c15-12-6-9(4-5-13(12)21-11-2-1-3-11)18-14(20)19-10-7-16-17-8-10/h4-8,11H,1-3H2,(H,16,17)(H2,18,19,20)
InChIKeyLCJAPPGXGDSSNS-UHFFFAOYSA-N
XLogP3.12
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclobutyloxy-3-fluorophenyl)-3-[1-(2,2-difluoroethyl)pyrazol-3-yl]urea
CID 75524717
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086184
N-(4-cyclopentyloxy-3-fluorophenyl)pyrrolidine-2-carboxamide
CID 119336640
1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475511
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111750960
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide
CID 166420649

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea (CID 122145730) is 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea is O=C(Nc1cn[nH]c1)Nc1ccc(OC2CCC2)c(F)c1.
What is the InChIKey of 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea?
The InChIKey is LCJAPPGXGDSSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-12-6-9(4-5-13(12)21-11-2-1-3-11)18-14(20)19-10-7-16-17-8-10/h4-8,11H,1-3H2,(H,16,17)(H2,18,19,20).
What are the key properties of 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea?
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea has a molecular weight of 290.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 122145730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).