1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine

C18H18N4 — CID 82592488

IUPAC1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESNC1CCCc2c1c(-c1cccnc1)nn2-c1ccccc1
InChIInChI=1S/C18H18N4/c19-15-9-4-10-16-17(15)18(13-6-5-11-20-12-13)21-22(16)14-7-2-1-3-8-14/h1-3,5-8,11-12,15H,4,9-10,19H2
InChIKeyBNTZASOWRKWIRT-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.27
Rot. Bonds2

About 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine

1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592488) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592488
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine
SMILESNC1CCCc2c1c(-c1cccnc1)nn2-c1ccccc1
InChIInChI=1S/C18H18N4/c19-15-9-4-10-16-17(15)18(13-6-5-11-20-12-13)21-22(16)14-7-2-1-3-8-14/h1-3,5-8,11-12,15H,4,9-10,19H2
InChIKeyBNTZASOWRKWIRT-UHFFFAOYSA-N
XLogP3.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-1-yl)acetonitrile
CID 82592131
1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592484
2-[1-(2-amino-2-oxoethyl)-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 82591315
1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole
CID 161209606
1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 129104721
3-(4-amino-3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)propanenitrile
CID 82592446
1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384308
4-(cyanomethyl)-1-phenyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 82591742
2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid
CID 110458733
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592556
(4R)-4-amino-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125481313
1-phenyl-3-pyridin-3-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 8001480

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine (CID 82592488) is 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine is NC1CCCc2c1c(-c1cccnc1)nn2-c1ccccc1.
What is the InChIKey of 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is BNTZASOWRKWIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c19-15-9-4-10-16-17(15)18(13-6-5-11-20-12-13)21-22(16)14-7-2-1-3-8-14/h1-3,5-8,11-12,15H,4,9-10,19H2.
What are the key properties of 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine?
1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 290.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).