1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea

C15H23F2N5O2 — CID 154763721

IUPAC1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea
SMILESCN1CCO[C@@H](CNC(=O)N[C@@H]2C[C@@H]2C(F)F)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C15H23F2N5O2/c1-21-3-4-24-12(13(21)9-6-19-22(2)8-9)7-18-15(23)20-11-5-10(11)14(16)17/h6,8,10-14H,3-5,7H2,1-2H3,(H2,18,20,23)/t10-,11+,12-,13-/m0/s1
InChIKeyGTYFPOZBXUQVDK-RNJOBUHISA-N
MW343.38 g/mol
LogP0.74
Rot. Bonds5

About 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea

1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea (PubChem CID 154763721) has the molecular formula C15H23F2N5O2 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea
PubChem CID154763721
Molecular FormulaC15H23F2N5O2
Molecular Weight343.38 g/mol
Exact Mass343.18
IUPAC Name1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea
SMILESCN1CCO[C@@H](CNC(=O)N[C@@H]2C[C@@H]2C(F)F)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C15H23F2N5O2/c1-21-3-4-24-12(13(21)9-6-19-22(2)8-9)7-18-15(23)20-11-5-10(11)14(16)17/h6,8,10-14H,3-5,7H2,1-2H3,(H2,18,20,23)/t10-,11+,12-,13-/m0/s1
InChIKeyGTYFPOZBXUQVDK-RNJOBUHISA-N
XLogP0.74
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
CID 164629792
N-[3-(1-methylpyrazol-4-yl)propyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 112319341
N-[1-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 112319435
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 128914803
(6R)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide
CID 129487656
(6S)-2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide
CID 129487657
1-[1-(4-fluorocyclohexyl)ethyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea
CID 132324966
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132354464
2,2,6,6-tetramethyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
CID 136537104
2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(trifluoromethyl)morpholine-4-carboxamide
CID 137833009
2-(difluoromethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 137846535
rel-(2S,3S)-3-(1-methyl-1H-pyrazol-4-yl)-2-(1-piperidinylmethyl)-4-(4,4,4-trifluorobutanoyl)morpholine
CID 154818242

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea?
The IUPAC name of 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea (CID 154763721) is 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea is CN1CCO[C@@H](CNC(=O)N[C@@H]2C[C@@H]2C(F)F)[C@@H]1c1cnn(C)c1.
What is the InChIKey of 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea?
The InChIKey is GTYFPOZBXUQVDK-RNJOBUHISA-N. The full InChI is InChI=1S/C15H23F2N5O2/c1-21-3-4-24-12(13(21)9-6-19-22(2)8-9)7-18-15(23)20-11-5-10(11)14(16)17/h6,8,10-14H,3-5,7H2,1-2H3,(H2,18,20,23)/t10-,11+,12-,13-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea?
1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea has a molecular weight of 343.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea is sourced from PubChem (CID 154763721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).