N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide

C15H23F2N3O2 — CID 122562455

IUPACN-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(F)F)cc1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C15H23F2N3O2/c1-20-13(10-12(19-20)14(16)17)15(21)18-8-5-9-22-11-6-3-2-4-7-11/h10-11,14H,2-9H2,1H3,(H,18,21)
InChIKeyHLSUNOXIJICOBC-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.83
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide

N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 122562455) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide
PubChem CID122562455
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC NameN-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(F)F)cc1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C15H23F2N3O2/c1-20-13(10-12(19-20)14(16)17)15(21)18-8-5-9-22-11-6-3-2-4-7-11/h10-11,14H,2-9H2,1H3,(H,18,21)
InChIKeyHLSUNOXIJICOBC-UHFFFAOYSA-N
XLogP2.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide (CID 122562455) is N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide is Cn1nc(C(F)F)cc1C(=O)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is HLSUNOXIJICOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-20-13(10-12(19-20)14(16)17)15(21)18-8-5-9-22-11-6-3-2-4-7-11/h10-11,14H,2-9H2,1H3,(H,18,21).
What are the key properties of N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide?
N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122562455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).