4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide

C8H11F3N4O — CID 70095832

IUPAC4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(N)cnn1CCC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-13-7(16)6-5(12)4-14-15(6)3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyMSPGVIFWFGHXOK-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.78
Rot. Bonds3

About 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide

4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide (PubChem CID 70095832) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
PubChem CID70095832
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(N)cnn1CCC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-13-7(16)6-5(12)4-14-15(6)3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyMSPGVIFWFGHXOK-UHFFFAOYSA-N
XLogP0.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide (CID 70095832) is 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide is CNC(=O)c1c(N)cnn1CCC(F)(F)F.
What is the InChIKey of 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
The InChIKey is MSPGVIFWFGHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-13-7(16)6-5(12)4-14-15(6)3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16).
What are the key properties of 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide?
4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-1-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70095832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).