N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C16H22F3N5 — CID 128965236

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCn1nccc1CN(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H22F3N5/c1-3-24-13(6-7-20-24)10-22(2)8-12-4-5-15-21-14(16(17,18)19)11-23(15)9-12/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyMBRJANSCTSLBCV-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.81
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 128965236) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID128965236
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCn1nccc1CN(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H22F3N5/c1-3-24-13(6-7-20-24)10-22(2)8-12-4-5-15-21-14(16(17,18)19)11-23(15)9-12/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyMBRJANSCTSLBCV-UHFFFAOYSA-N
XLogP2.81
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 128965236) is N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CCn1nccc1CN(C)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is MBRJANSCTSLBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5/c1-3-24-13(6-7-20-24)10-22(2)8-12-4-5-15-21-14(16(17,18)19)11-23(15)9-12/h6-7,11-12H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 341.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 128965236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).