4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide

C16H26F2N4O2 — CID 75394158

IUPAC4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCC(C)Cn1cc(C(F)F)c(C(=O)NC(C)C2CN(C)CCO2)n1
InChIInChI=1S/C16H26F2N4O2/c1-10(2)7-22-8-12(15(17)18)14(20-22)16(23)19-11(3)13-9-21(4)5-6-24-13/h8,10-11,13,15H,5-7,9H2,1-4H3,(H,19,23)
InChIKeyVPTFRUFPWCQOCE-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.93
Rot. Bonds6

About 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide

4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 75394158) has the molecular formula C16H26F2N4O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID75394158
Molecular FormulaC16H26F2N4O2
Molecular Weight344.41 g/mol
Exact Mass344.20
IUPAC Name4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCC(C)Cn1cc(C(F)F)c(C(=O)NC(C)C2CN(C)CCO2)n1
InChIInChI=1S/C16H26F2N4O2/c1-10(2)7-22-8-12(15(17)18)14(20-22)16(23)19-11(3)13-9-21(4)5-6-24-13/h8,10-11,13,15H,5-7,9H2,1-4H3,(H,19,23)
InChIKeyVPTFRUFPWCQOCE-UHFFFAOYSA-N
XLogP1.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide (CID 75394158) is 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide is CC(C)Cn1cc(C(F)F)c(C(=O)NC(C)C2CN(C)CCO2)n1.
What is the InChIKey of 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is VPTFRUFPWCQOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O2/c1-10(2)7-22-8-12(15(17)18)14(20-22)16(23)19-11(3)13-9-21(4)5-6-24-13/h8,10-11,13,15H,5-7,9H2,1-4H3,(H,19,23).
What are the key properties of 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide?
4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 75394158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).