1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

C12H14F3N5O — CID 19267822

IUPAC1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCn2cccn2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3N5O/c1-19-10(12(13,14)15)8-9(18-19)11(21)16-4-2-6-20-7-3-5-17-20/h3,5,7-8H,2,4,6H2,1H3,(H,16,21)
InChIKeyGRSUOXAPYZLWOB-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.46
Rot. Bonds5

About 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267822) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267822
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCn2cccn2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3N5O/c1-19-10(12(13,14)15)8-9(18-19)11(21)16-4-2-6-20-7-3-5-17-20/h3,5,7-8H,2,4,6H2,1H3,(H,16,21)
InChIKeyGRSUOXAPYZLWOB-UHFFFAOYSA-N
XLogP1.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267822) is 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCCCn2cccn2)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is GRSUOXAPYZLWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-19-10(12(13,14)15)8-9(18-19)11(21)16-4-2-6-20-7-3-5-17-20/h3,5,7-8H,2,4,6H2,1H3,(H,16,21).
What are the key properties of 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-pyrazol-1-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).