N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide

C14H16F3N5O — CID 72921885

IUPACN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1nc(C)cc(C(F)(F)F)n1)n1cccn1
InChIInChI=1S/C14H16F3N5O/c1-3-10(22-6-4-5-19-22)13(23)18-8-12-20-9(2)7-11(21-12)14(15,16)17/h4-7,10H,3,8H2,1-2H3,(H,18,23)
InChIKeyXJADWBWSFOEBSD-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.27
Rot. Bonds5

About N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 72921885) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide
PubChem CID72921885
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1nc(C)cc(C(F)(F)F)n1)n1cccn1
InChIInChI=1S/C14H16F3N5O/c1-3-10(22-6-4-5-19-22)13(23)18-8-12-20-9(2)7-11(21-12)14(15,16)17/h4-7,10H,3,8H2,1-2H3,(H,18,23)
InChIKeyXJADWBWSFOEBSD-UHFFFAOYSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide (CID 72921885) is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCc1nc(C)cc(C(F)(F)F)n1)n1cccn1.
What is the InChIKey of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is XJADWBWSFOEBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-3-10(22-6-4-5-19-22)13(23)18-8-12-20-9(2)7-11(21-12)14(15,16)17/h4-7,10H,3,8H2,1-2H3,(H,18,23).
What are the key properties of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide?
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 327.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72921885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).