2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride

C14H20ClN3 — CID 161483819

IUPAC2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride
SMILESCC(C)(C)Cc1cnn(Cc2ccccn2)c1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-14(2,3)8-12-9-16-17(10-12)11-13-6-4-5-7-15-13;/h4-7,9-10H,8,11H2,1-3H3;1H
InChIKeyFYJJDPJEGAWPSF-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.34
Rot. Bonds3

About 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride

2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride (PubChem CID 161483819) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride
PubChem CID161483819
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride
SMILESCC(C)(C)Cc1cnn(Cc2ccccn2)c1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-14(2,3)8-12-9-16-17(10-12)11-13-6-4-5-7-15-13;/h4-7,9-10H,8,11H2,1-3H3;1H
InChIKeyFYJJDPJEGAWPSF-UHFFFAOYSA-N
XLogP3.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethyl)pyrazole-4-carbaldehyde
CID 118380728
4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
CID 59479881
1-[[3,5-dimethyl-4-(pyridin-2-ylmethyl)phenyl]methyl]pyrazole-4-carboxylic acid
CID 171090685
2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 75372346
1-(5,5-dimethylhexyl)-4-(2,2-dimethylpropyl)pyrazole
CID 158565632
2-[4-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 155403634
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193788
1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
CID 105084640
2-[(4-propan-2-ylimidazol-1-yl)methyl]pyridine
CID 142663682
2-[5-tert-butyl-1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81344436
[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194795
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
CID 82469769

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride?
The IUPAC name of 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride (CID 161483819) is 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride.
What is the SMILES notation for 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride?
The canonical SMILES for 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride is CC(C)(C)Cc1cnn(Cc2ccccn2)c1.Cl.
What is the InChIKey of 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride?
The InChIKey is FYJJDPJEGAWPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-14(2,3)8-12-9-16-17(10-12)11-13-6-4-5-7-15-13;/h4-7,9-10H,8,11H2,1-3H3;1H.
What are the key properties of 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride?
2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-dimethylpropyl)pyrazol-1-yl]methyl]pyridine;hydrochloride is sourced from PubChem (CID 161483819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).