1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea

C19H31FN4O2 — CID 164640819

IUPAC1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCC(NC(=O)N[C@H]1CCO[C@@H]1c1cnn(C(C)C)c1)C1CCC(F)CC1
InChIInChI=1S/C19H31FN4O2/c1-12(2)24-11-15(10-21-24)18-17(8-9-26-18)23-19(25)22-13(3)14-4-6-16(20)7-5-14/h10-14,16-18H,4-9H2,1-3H3,(H2,22,23,25)/t13?,14?,16?,17-,18+/m0/s1
InChIKeyWKTABCLOPBESPG-VIRKBUQMSA-N
MW366.48 g/mol
LogP3.51
Rot. Bonds5

About 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea

1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 164640819) has the molecular formula C19H31FN4O2 and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID164640819
Molecular FormulaC19H31FN4O2
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC Name1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
SMILESCC(NC(=O)N[C@H]1CCO[C@@H]1c1cnn(C(C)C)c1)C1CCC(F)CC1
InChIInChI=1S/C19H31FN4O2/c1-12(2)24-11-15(10-21-24)18-17(8-9-26-18)23-19(25)22-13(3)14-4-6-16(20)7-5-14/h10-14,16-18H,4-9H2,1-3H3,(H2,22,23,25)/t13?,14?,16?,17-,18+/m0/s1
InChIKeyWKTABCLOPBESPG-VIRKBUQMSA-N
XLogP3.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
1-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 119034403
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 164631338
N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide
CID 128686364
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475288
3,3-difluoro-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 128736970
7,7-difluoro-6-methyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-azabicyclo[4.1.0]heptane-3-carboxamide
CID 128914698
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 128914803
1-[1-(4-fluorocyclohexyl)ethyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea
CID 132324966
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 132368969
3-fluoropropyl N-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]carbamate
CID 136585392
1-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
CID 138000499

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea (CID 164640819) is 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea is CC(NC(=O)N[C@H]1CCO[C@@H]1c1cnn(C(C)C)c1)C1CCC(F)CC1.
What is the InChIKey of 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is WKTABCLOPBESPG-VIRKBUQMSA-N. The full InChI is InChI=1S/C19H31FN4O2/c1-12(2)24-11-15(10-21-24)18-17(8-9-26-18)23-19(25)22-13(3)14-4-6-16(20)7-5-14/h10-14,16-18H,4-9H2,1-3H3,(H2,22,23,25)/t13?,14?,16?,17-,18+/m0/s1.
What are the key properties of 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea?
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 366.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 164640819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).