(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine

C18H17F3N4 — CID 124569878

IUPAC(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCn1nccc1CN[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4/c1-25-16(7-9-24-25)12-23-17(14-5-3-8-22-11-14)13-4-2-6-15(10-13)18(19,20)21/h2-11,17,23H,12H2,1H3/t17-/m1/s1
InChIKeyDPCPJJRMOIYIFT-QGZVFWFLSA-N
MW346.36 g/mol
LogP3.71
Rot. Bonds5

About (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine

(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 124569878) has the molecular formula C18H17F3N4 and a molecular weight of 346.36 g/mol. Its IUPAC name is (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID124569878
Molecular FormulaC18H17F3N4
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCn1nccc1CN[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4/c1-25-16(7-9-24-25)12-23-17(14-5-3-8-22-11-14)13-4-2-6-15(10-13)18(19,20)21/h2-11,17,23H,12H2,1H3/t17-/m1/s1
InChIKeyDPCPJJRMOIYIFT-QGZVFWFLSA-N
XLogP3.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 79570845
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301348
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789684
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 114698972
4-[(prop-2-enoylamino)methyl]-N-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 154858591

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 124569878) is (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine is Cn1nccc1CN[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DPCPJJRMOIYIFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17F3N4/c1-25-16(7-9-24-25)12-23-17(14-5-3-8-22-11-14)13-4-2-6-15(10-13)18(19,20)21/h2-11,17,23H,12H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine?
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 346.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 124569878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).