1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide

C9H8F3N5O2 — CID 164879382

IUPAC1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide
SMILESCn1nc(OC(F)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H8F3N5O2/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6/h2-4H,1H3,(H2,13,14,15,18)
InChIKeyRRUVOSOFKFBOJY-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.29
Rot. Bonds3

About 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide

1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide (PubChem CID 164879382) has the molecular formula C9H8F3N5O2 and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide
PubChem CID164879382
Molecular FormulaC9H8F3N5O2
Molecular Weight275.19 g/mol
Exact Mass275.06
IUPAC Name1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide
SMILESCn1nc(OC(F)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H8F3N5O2/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6/h2-4H,1H3,(H2,13,14,15,18)
InChIKeyRRUVOSOFKFBOJY-UHFFFAOYSA-N
XLogP1.29
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide (CID 164879382) is 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide is Cn1nc(OC(F)(F)F)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide?
The InChIKey is RRUVOSOFKFBOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6/h2-4H,1H3,(H2,13,14,15,18).
What are the key properties of 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide?
1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide has a molecular weight of 275.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide is sourced from PubChem (CID 164879382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).