1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine

C13H20F3N3O — CID 64758479

IUPAC1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
SMILESCOCCn1cc(NC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3O/c1-20-7-6-19-9-10(8-17-19)18-12-5-3-2-4-11(12)13(14,15)16/h8-9,11-12,18H,2-7H2,1H3
InChIKeyQDSMQKLKSJZCRY-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine

1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine (PubChem CID 64758479) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
PubChem CID64758479
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
SMILESCOCCn1cc(NC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3O/c1-20-7-6-19-9-10(8-17-19)18-12-5-3-2-4-11(12)13(14,15)16/h8-9,11-12,18H,2-7H2,1H3
InChIKeyQDSMQKLKSJZCRY-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine (CID 64758479) is 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine is COCCn1cc(NC2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The InChIKey is QDSMQKLKSJZCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-20-7-6-19-9-10(8-17-19)18-12-5-3-2-4-11(12)13(14,15)16/h8-9,11-12,18H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine has a molecular weight of 291.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 64758479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).