4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine

C14H15N3 — CID 107331160

IUPAC4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccnn2-c2ccccc2)CCNC1
InChIInChI=1S/C14H15N3/c1-2-4-13(5-3-1)17-14(8-11-16-17)12-6-9-15-10-7-12/h1-6,8,11,15H,7,9-10H2
InChIKeyIKTHVOCZKZGCEN-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.25
Rot. Bonds2

About 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine

4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 107331160) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID107331160
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccnn2-c2ccccc2)CCNC1
InChIInChI=1S/C14H15N3/c1-2-4-13(5-3-1)17-14(8-11-16-17)12-6-9-15-10-7-12/h1-6,8,11,15H,7,9-10H2
InChIKeyIKTHVOCZKZGCEN-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylpyrazol-3-yl)cyclopent-2-en-1-one
CID 107331217
4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine
CID 63974644
3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile
CID 141130394
2-methyl-4-(2-phenylpyrazol-3-yl)aniline
CID 107331021
5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol
CID 135923293
1-phenyl-5-(5-phenylthiophen-2-yl)pyrazole
CID 59632631
1-[(2-phenylpyrazol-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834226
2-methyl-5-(2-phenylpyrazol-3-yl)aniline
CID 107331025
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine
CID 167839083
[2-(2-phenylpyrazol-3-yl)phenyl]methanamine
CID 107330991
3-chloro-4-(2-phenylpyrazol-3-yl)-1,2,5-thiadiazole
CID 107331331

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine (CID 107331160) is 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine is C1=C(c2ccnn2-c2ccccc2)CCNC1.
What is the InChIKey of 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IKTHVOCZKZGCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-4-13(5-3-1)17-14(8-11-16-17)12-6-9-15-10-7-12/h1-6,8,11,15H,7,9-10H2.
What are the key properties of 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine?
4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 225.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 107331160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).