1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea

C11H15F3N4O2 — CID 124844927

IUPAC1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccnn1C[C@H]1CCOC1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)7-15-10(19)17-9-1-3-16-18(9)5-8-2-4-20-6-8/h1,3,8H,2,4-7H2,(H2,15,17,19)/t8-/m1/s1
InChIKeyHBWVLTUMBNHVCQ-MRVPVSSYSA-N
MW292.26 g/mol
LogP1.60
Rot. Bonds4

About 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea

1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 124844927) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID124844927
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccnn1C[C@H]1CCOC1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)7-15-10(19)17-9-1-3-16-18(9)5-8-2-4-20-6-8/h1,3,8H,2,4-7H2,(H2,15,17,19)/t8-/m1/s1
InChIKeyHBWVLTUMBNHVCQ-MRVPVSSYSA-N
XLogP1.60
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea with MolForge

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Related Compounds

1-((oxolan-3-yl)methyl)-1H-pyrazol-5-amine
CID 16783657
1-[1-(3-Methoxypropyl)pyrazol-3-yl]-3-propylurea
CID 72008027
N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]acetamide
CID 97209246
(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 97278532
(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97333918
1-(2-methylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97881312
1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 99707593
2,2,2-trifluoroethyl N-[2-(2-methylpropyl)-2,3-dihydro-1H-pyrazol-3-ylidene]carbamate
CID 50986568
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71924041
N-[1-(3-methoxypropyl)pyrazol-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 72008024
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-prop-2-enylurea
CID 72106040
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75435313

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea (CID 124844927) is 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccnn1C[C@H]1CCOC1.
What is the InChIKey of 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is HBWVLTUMBNHVCQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c12-11(13,14)7-15-10(19)17-9-1-3-16-18(9)5-8-2-4-20-6-8/h1,3,8H,2,4-7H2,(H2,15,17,19)/t8-/m1/s1.
What are the key properties of 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 292.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 124844927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).