1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide

C16H20F2N6O3 — CID 17025147

IUPAC1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(C)n(C(F)F)n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H20F2N6O3/c1-3-23-13(15(26)22-4-6-27-7-5-22)12(9-19-23)20-14(25)11-8-10(2)24(21-11)16(17)18/h8-9,16H,3-7H2,1-2H3,(H,20,25)
InChIKeyQABKODSAZHLUMT-UHFFFAOYSA-N
MW382.37 g/mol
LogP1.53
Rot. Bonds5

About 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide

1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide (PubChem CID 17025147) has the molecular formula C16H20F2N6O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide
PubChem CID17025147
Molecular FormulaC16H20F2N6O3
Molecular Weight382.37 g/mol
Exact Mass382.16
IUPAC Name1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(C)n(C(F)F)n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H20F2N6O3/c1-3-23-13(15(26)22-4-6-27-7-5-22)12(9-19-23)20-14(25)11-8-10(2)24(21-11)16(17)18/h8-9,16H,3-7H2,1-2H3,(H,20,25)
InChIKeyQABKODSAZHLUMT-UHFFFAOYSA-N
XLogP1.53
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide (CID 17025147) is 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide is CCn1ncc(NC(=O)c2cc(C)n(C(F)F)n2)c1C(=O)N1CCOCC1.
What is the InChIKey of 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide?
The InChIKey is QABKODSAZHLUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O3/c1-3-23-13(15(26)22-4-6-27-7-5-22)12(9-19-23)20-14(25)11-8-10(2)24(21-11)16(17)18/h8-9,16H,3-7H2,1-2H3,(H,20,25).
What are the key properties of 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide?
1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17025147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).