1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea

C11H15F3N4O2 — CID 138025070

IUPAC1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
SMILESCOc1nn(C)cc1NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c1-18-5-8(9(17-18)20-2)16-10(19)15-4-6-3-7(6)11(12,13)14/h5-7H,3-4H2,1-2H3,(H2,15,16,19)/t6-,7+/m0/s1
InChIKeyDUYFOAPTKUIJFT-NKWVEPMBSA-N
MW292.26 g/mol
LogP1.75
Rot. Bonds4

About 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea

1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea (PubChem CID 138025070) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
PubChem CID138025070
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
SMILESCOc1nn(C)cc1NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c1-18-5-8(9(17-18)20-2)16-10(19)15-4-6-3-7(6)11(12,13)14/h5-7H,3-4H2,1-2H3,(H2,15,16,19)/t6-,7+/m0/s1
InChIKeyDUYFOAPTKUIJFT-NKWVEPMBSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea with MolForge

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Related Compounds

1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea
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1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
CID 138025091
1-[3-(2,4-difluorophenyl)cyclobutyl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
CID 136585643
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CID 102806619
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
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3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 121091888
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
2-tert-butyl-N-(3-methoxy-1-methylpyrazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea (CID 138025070) is 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea is COc1nn(C)cc1NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea?
The InChIKey is DUYFOAPTKUIJFT-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-18-5-8(9(17-18)20-2)16-10(19)15-4-6-3-7(6)11(12,13)14/h5-7H,3-4H2,1-2H3,(H2,15,16,19)/t6-,7+/m0/s1.
What are the key properties of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea?
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea has a molecular weight of 292.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 138025070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).