1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea

C14H22F2N4O2 — CID 56795130

IUPAC1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
SMILESO=C(NCCCOC1CCCC1)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C14H22F2N4O2/c15-13(16)10-20-9-11(8-18-20)19-14(21)17-6-3-7-22-12-4-1-2-5-12/h8-9,12-13H,1-7,10H2,(H2,17,19,21)
InChIKeyUPRLLWVSWLGTFC-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.62
Rot. Bonds8

About 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea

1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea (PubChem CID 56795130) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
PubChem CID56795130
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC Name1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
SMILESO=C(NCCCOC1CCCC1)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C14H22F2N4O2/c15-13(16)10-20-9-11(8-18-20)19-14(21)17-6-3-7-22-12-4-1-2-5-12/h8-9,12-13H,1-7,10H2,(H2,17,19,21)
InChIKeyUPRLLWVSWLGTFC-UHFFFAOYSA-N
XLogP2.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038226
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
1-cyclohexyl-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-methylurea
CID 126780377
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
CID 49111400
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]urea
CID 126770316
1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 55697566
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
CID 111458225
1-(3-cyclopentyloxypropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49110487
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119328781
1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea
CID 48951773
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119792885
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119328772

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea (CID 56795130) is 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea is O=C(NCCCOC1CCCC1)Nc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea?
The InChIKey is UPRLLWVSWLGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c15-13(16)10-20-9-11(8-18-20)19-14(21)17-6-3-7-22-12-4-1-2-5-12/h8-9,12-13H,1-7,10H2,(H2,17,19,21).
What are the key properties of 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea?
1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea has a molecular weight of 316.35 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 56795130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).