1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H22F3N3O2 — CID 95157228

IUPAC1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C15H22F3N3O2/c1-10-5-3-4-6-12(10)23-8-7-19-14(22)11-9-20-21(2)13(11)15(16,17)18/h9-10,12H,3-8H2,1-2H3,(H,19,22)/t10-,12-/m1/s1
InChIKeyJFZXGWZZGOJUGO-ZYHUDNBSSA-N
MW333.35 g/mol
LogP2.76
Rot. Bonds5

About 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 95157228) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID95157228
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C15H22F3N3O2/c1-10-5-3-4-6-12(10)23-8-7-19-14(22)11-9-20-21(2)13(11)15(16,17)18/h9-10,12H,3-8H2,1-2H3,(H,19,22)/t10-,12-/m1/s1
InChIKeyJFZXGWZZGOJUGO-ZYHUDNBSSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-(oxan-3-yl)-N-(2-sulfanylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
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CID 51103754
N-[(4-carbamoyloxan-4-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
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1-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53518511
N-(3-methyl-2-morpholin-4-ylbutyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 95157228) is 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnn(C)c1C(F)(F)F.
What is the InChIKey of 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is JFZXGWZZGOJUGO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-10-5-3-4-6-12(10)23-8-7-19-14(22)11-9-20-21(2)13(11)15(16,17)18/h9-10,12H,3-8H2,1-2H3,(H,19,22)/t10-,12-/m1/s1.
What are the key properties of 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 95157228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).