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

C10H13F3N4O2 — CID 4768054

IUPAC1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NN1CCOCC1
InChIInChI=1S/C10H13F3N4O2/c1-16-7(6-8(14-16)10(11,12)13)9(18)15-17-2-4-19-5-3-17/h6H,2-5H2,1H3,(H,15,18)
InChIKeyOLWYESVJJVPNQV-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.42
Rot. Bonds2

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

1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4768054) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4768054
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NN1CCOCC1
InChIInChI=1S/C10H13F3N4O2/c1-16-7(6-8(14-16)10(11,12)13)9(18)15-17-2-4-19-5-3-17/h6H,2-5H2,1H3,(H,15,18)
InChIKeyOLWYESVJJVPNQV-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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Related Compounds

3-(tert-butyl)-1-methyl-N-morpholino-1H-pyrazole-5-carboxamide
CID 2811170
4-chloro-1-methyl-N-(morpholin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767774
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)propanamide
CID 4769222
4-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-2-ethyl-1-isopropylpiperazine
CID 72911903
1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide
CID 75445684
1-Ethyl-3-methyl-1h-pyrazole-5-carbohydrazide
CID 2744172
2-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769718
1-Methyl-3-(morpholin-4-ylcarbonyl)pyrazol-5-yl morpholin-4-yl ketone
CID 673742
(1-Ethyl-3-methyl-5-pyrazolyl)morpholinomethanone
CID 25854648
N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide
CID 42285679
(1,3-Dimethyl-1H-pyrazol-5-yl)(morpholin-4-yl)methanone
CID 19575160
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-(morpholin-4-yl)acetamide
CID 842889

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4768054) is 1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NN1CCOCC1.
What is the InChIKey of 1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is OLWYESVJJVPNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-16-7(6-8(14-16)10(11,12)13)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-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-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-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4768054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).