N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide

C10H14F3N3O — CID 155480505

IUPACN-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide
SMILESCCCCn1nc(C(F)(F)F)cc1N(C)C=O
InChIInChI=1S/C10H14F3N3O/c1-3-4-5-16-9(15(2)7-17)6-8(14-16)10(11,12)13/h6-7H,3-5H2,1-2H3
InChIKeyWMYGHSSTSFUKGU-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.29
Rot. Bonds5

About N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide

N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide (PubChem CID 155480505) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide
PubChem CID155480505
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide
SMILESCCCCn1nc(C(F)(F)F)cc1N(C)C=O
InChIInChI=1S/C10H14F3N3O/c1-3-4-5-16-9(15(2)7-17)6-8(14-16)10(11,12)13/h6-7H,3-5H2,1-2H3
InChIKeyWMYGHSSTSFUKGU-UHFFFAOYSA-N
XLogP2.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide?
The IUPAC name of N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide (CID 155480505) is N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide.
What is the SMILES notation for N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide?
The canonical SMILES for N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide is CCCCn1nc(C(F)(F)F)cc1N(C)C=O.
What is the InChIKey of N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide?
The InChIKey is WMYGHSSTSFUKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-5-16-9(15(2)7-17)6-8(14-16)10(11,12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide?
N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide has a molecular weight of 249.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide is sourced from PubChem (CID 155480505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).