5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H21N3O — CID 42529918

IUPAC5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESC/C(=C\c1ccco1)CN1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C20H21N3O/c1-15(12-17-8-5-11-24-17)13-23-10-9-19-18(14-23)20(22-21-19)16-6-3-2-4-7-16/h2-8,11-12H,9-10,13-14H2,1H3,(H,21,22)/b15-12+
InChIKeyFBZYYIZJBQSCQU-NTCAYCPXSA-N
MW319.41 g/mol
LogP4.13
Rot. Bonds4

About 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 42529918) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID42529918
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESC/C(=C\c1ccco1)CN1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C20H21N3O/c1-15(12-17-8-5-11-24-17)13-23-10-9-19-18(14-23)20(22-21-19)16-6-3-2-4-7-16/h2-8,11-12H,9-10,13-14H2,1H3,(H,21,22)/b15-12+
InChIKeyFBZYYIZJBQSCQU-NTCAYCPXSA-N
XLogP4.13
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide
CID 56745125
4-[2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethyl]morpholine
CID 154568126
3-(4-tert-butylphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539351
(1R)-1-[5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 99973144
2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride
CID 154919752
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538299
[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
furan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185455
6-[[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56749783
4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540115
5-(1,4-dithiepan-6-yl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29029582
N,N-dimethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-sulfonamide
CID 30852918

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 42529918) is 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is C/C(=C\c1ccco1)CN1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is FBZYYIZJBQSCQU-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15(12-17-8-5-11-24-17)13-23-10-9-19-18(14-23)20(22-21-19)16-6-3-2-4-7-16/h2-8,11-12H,9-10,13-14H2,1H3,(H,21,22)/b15-12+.
What are the key properties of 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 319.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 42529918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).