2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C13H14N2 — CID 57127490

IUPAC2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1ccc(-c2cc3n(n2)CCCC3)cc1
InChIInChI=1S/C13H14N2/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13/h1-3,6-7,10H,4-5,8-9H2
InChIKeyVRBDYOOPBFYHPM-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.89
Rot. Bonds1

About 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 57127490) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID57127490
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1ccc(-c2cc3n(n2)CCCC3)cc1
InChIInChI=1S/C13H14N2/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13/h1-3,6-7,10H,4-5,8-9H2
InChIKeyVRBDYOOPBFYHPM-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat
CID 39425
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-benzyl-1H-indazole
CID 797066
1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
E-55888
CID 24825775
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-Methyl-1H-indazole
CID 139456
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 57127490) is 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is c1ccc(-c2cc3n(n2)CCCC3)cc1.
What is the InChIKey of 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is VRBDYOOPBFYHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-15(12)14-13/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 198.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 57127490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).