3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole

C17H21N3 — CID 168515124

IUPAC3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESc1cc(N2CCCC2)ccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H21N3/c1-2-6-16-15(5-1)17(19-18-16)13-7-9-14(10-8-13)20-11-3-4-12-20/h7-10H,1-6,11-12H2,(H,18,19)
InChIKeyDGPLNHVIYXUXLQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.56
Rot. Bonds2

About 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole

3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 168515124) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID168515124
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESc1cc(N2CCCC2)ccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H21N3/c1-2-6-16-15(5-1)17(19-18-16)13-7-9-14(10-8-13)20-11-3-4-12-20/h7-10H,1-6,11-12H2,(H,18,19)
InChIKeyDGPLNHVIYXUXLQ-UHFFFAOYSA-N
XLogP3.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 117061879
3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 169337120
2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione
CID 168519342
3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 156661602
4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 108726038
[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]thiourea
CID 169359415
4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one;ethane
CID 90706844
3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 123838523
N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)aniline
CID 166272050
1-[4-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46921350
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-[2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethyl]morpholine
CID 154568126

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole (CID 168515124) is 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole is c1cc(N2CCCC2)ccc1-c1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is DGPLNHVIYXUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-6-16-15(5-1)17(19-18-16)13-7-9-14(10-8-13)20-11-3-4-12-20/h7-10H,1-6,11-12H2,(H,18,19).
What are the key properties of 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 267.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 168515124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).