N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine

C15H18F3N3 — CID 115767647

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
SMILESCc1nn(C)cc1CNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H18F3N3/c1-11-13(10-21(2)20-11)9-19-14(8-15(16,17)18)12-6-4-3-5-7-12/h3-7,10,14,19H,8-9H2,1-2H3
InChIKeyUQAYRXDFFMSWSI-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.51
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine (PubChem CID 115767647) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
PubChem CID115767647
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
SMILESCc1nn(C)cc1CNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H18F3N3/c1-11-13(10-21(2)20-11)9-19-14(8-15(16,17)18)12-6-4-3-5-7-12/h3-7,10,14,19H,8-9H2,1-2H3
InChIKeyUQAYRXDFFMSWSI-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
MK-1925
CID 44178080
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CID 11312173
2-Isopropyl-3-p-tolyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11323169
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
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Fezolamine
CID 54567

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine (CID 115767647) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine is Cc1nn(C)cc1CNC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine?
The InChIKey is UQAYRXDFFMSWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-11-13(10-21(2)20-11)9-19-14(8-15(16,17)18)12-6-4-3-5-7-12/h3-7,10,14,19H,8-9H2,1-2H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine is sourced from PubChem (CID 115767647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).