1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine

C11H16FN3 — CID 126776910

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCc1n[nH]c(C)c1CN1CCC=C(F)C1
InChIInChI=1S/C11H16FN3/c1-8-11(9(2)14-13-8)7-15-5-3-4-10(12)6-15/h4H,3,5-7H2,1-2H3,(H,13,14)
InChIKeyPOFVGARDALTPFT-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.09
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 126776910) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID126776910
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCc1n[nH]c(C)c1CN1CCC=C(F)C1
InChIInChI=1S/C11H16FN3/c1-8-11(9(2)14-13-8)7-15-5-3-4-10(12)6-15/h4H,3,5-7H2,1-2H3,(H,13,14)
InChIKeyPOFVGARDALTPFT-UHFFFAOYSA-N
XLogP2.09
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethyl]-methyl-amine
CID 6603359
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 645354
(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
CID 139060191
(2E)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,2-dimethylbut-2-en-1-amine
CID 50978581
3-[2-cyanoethyl-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]propanenitrile
CID 86816768
(4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethylazepan-4-amine
CID 99927891
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
CID 126775333
trans-(1S,2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-fluorocyclohexan-1-amine
CID 164643080
6-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridine
CID 50992800
3-(Fluoromethyl)-6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 117956506
3-Methyl-6-(3,3,3-trifluoropropyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118491713
3-Methyl-6-(2,2,2-trifluoroethyl)-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 118491775

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine (CID 126776910) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine is Cc1n[nH]c(C)c1CN1CCC=C(F)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is POFVGARDALTPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-8-11(9(2)14-13-8)7-15-5-3-4-10(12)6-15/h4H,3,5-7H2,1-2H3,(H,13,14).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 209.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126776910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).