N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide

C10H14F3N3O — CID 145225439

IUPACN-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
SMILESCCCCC(=O)N(C)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O/c1-3-4-5-9(17)16(2)8-6-7(14-15-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyOMNPITNTZGSYEV-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide

N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide (PubChem CID 145225439) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
PubChem CID145225439
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
SMILESCCCCC(=O)N(C)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O/c1-3-4-5-9(17)16(2)8-6-7(14-15-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyOMNPITNTZGSYEV-UHFFFAOYSA-N
XLogP2.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide (CID 145225439) is N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide is CCCCC(=O)N(C)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide?
The InChIKey is OMNPITNTZGSYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-5-9(17)16(2)8-6-7(14-15-8)10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide?
N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide has a molecular weight of 249.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 145225439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).