2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine

C14H17F3N4 — CID 81253288

IUPAC2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnccc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N4/c1-13(2,3)19-7-10-6-18-5-4-12(10)21-9-11(8-20-21)14(15,16)17/h4-6,8-9,19H,7H2,1-3H3
InChIKeyILNVNEUNIHUMEQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81253288) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
PubChem CID81253288
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnccc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N4/c1-13(2,3)19-7-10-6-18-5-4-12(10)21-9-11(8-20-21)14(15,16)17/h4-6,8-9,19H,7H2,1-3H3
InChIKeyILNVNEUNIHUMEQ-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine (CID 81253288) is 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine is CC(C)(C)NCc1cnccc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is ILNVNEUNIHUMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-13(2,3)19-7-10-6-18-5-4-12(10)21-9-11(8-20-21)14(15,16)17/h4-6,8-9,19H,7H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 298.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81253288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).