1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea

C12H17F3N4O — CID 71859104

IUPAC1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea
SMILESO=C(Nc1cn[nH]c1)N(CCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)5-6-19(10-3-1-2-4-10)11(20)18-9-7-16-17-8-9/h7-8,10H,1-6H2,(H,16,17)(H,18,20)
InChIKeyVRMOIKDMHOITSK-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.14
Rot. Bonds4

About 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea

1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea (PubChem CID 71859104) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea
PubChem CID71859104
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea
SMILESO=C(Nc1cn[nH]c1)N(CCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)5-6-19(10-3-1-2-4-10)11(20)18-9-7-16-17-8-9/h7-8,10H,1-6H2,(H,16,17)(H,18,20)
InChIKeyVRMOIKDMHOITSK-UHFFFAOYSA-N
XLogP3.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea (CID 71859104) is 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea is O=C(Nc1cn[nH]c1)N(CCC(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea?
The InChIKey is VRMOIKDMHOITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)5-6-19(10-3-1-2-4-10)11(20)18-9-7-16-17-8-9/h7-8,10H,1-6H2,(H,16,17)(H,18,20).
What are the key properties of 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea?
1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea has a molecular weight of 290.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 71859104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).