N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C11H12F3N5O — CID 136573125

IUPACN-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-18(6-8-2-4-15-16-8)10(20)9-3-5-19(17-9)7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeySXGRZOJSMDDCPD-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.44
Rot. Bonds4

About N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 136573125) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID136573125
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC NameN-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-18(6-8-2-4-15-16-8)10(20)9-3-5-19(17-9)7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeySXGRZOJSMDDCPD-UHFFFAOYSA-N
XLogP1.44
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 136573125) is N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is CN(Cc1ccn[nH]1)C(=O)c1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is SXGRZOJSMDDCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-18(6-8-2-4-15-16-8)10(20)9-3-5-19(17-9)7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 136573125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).