1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide

C10H13F3N4O2 — CID 19575258

IUPAC1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c1-16-8(10(11,12)13)6-7(14-16)9(18)15-17-2-4-19-5-3-17/h6H,2-5H2,1H3,(H,15,18)
InChIKeyBHDOJYXDBKAGKG-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.42
Rot. Bonds2

About 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19575258) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19575258
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N4O2/c1-16-8(10(11,12)13)6-7(14-16)9(18)15-17-2-4-19-5-3-17/h6H,2-5H2,1H3,(H,15,18)
InChIKeyBHDOJYXDBKAGKG-UHFFFAOYSA-N
XLogP0.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19575258) is 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NN2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is BHDOJYXDBKAGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-16-8(10(11,12)13)6-7(14-16)9(18)15-17-2-4-19-5-3-17/h6H,2-5H2,1H3,(H,15,18).
What are the key properties of 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19575258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).