N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C14H15F3N4O2 — CID 136557445

IUPACN-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOCc1ccnc(NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H15F3N4O2/c1-9(21-6-4-11(20-21)14(15,16)17)13(22)19-12-7-10(8-23-2)3-5-18-12/h3-7,9H,8H2,1-2H3,(H,18,19,22)
InChIKeyVBSZKYGPKPFVHM-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.64
Rot. Bonds5

About N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 136557445) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID136557445
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC NameN-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOCc1ccnc(NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H15F3N4O2/c1-9(21-6-4-11(20-21)14(15,16)17)13(22)19-12-7-10(8-23-2)3-5-18-12/h3-7,9H,8H2,1-2H3,(H,18,19,22)
InChIKeyVBSZKYGPKPFVHM-UHFFFAOYSA-N
XLogP2.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 136557445) is N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is COCc1ccnc(NC(=O)C(C)n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is VBSZKYGPKPFVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-9(21-6-4-11(20-21)14(15,16)17)13(22)19-12-7-10(8-23-2)3-5-18-12/h3-7,9H,8H2,1-2H3,(H,18,19,22).
What are the key properties of N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 328.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 136557445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).