3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole

C15H20BrN5 — CID 126947027

IUPAC3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESBrc1cnn(C2CCN(Cc3n[nH]c4c3CCCC4)C2)c1
InChIInChI=1S/C15H20BrN5/c16-11-7-17-21(8-11)12-5-6-20(9-12)10-15-13-3-1-2-4-14(13)18-19-15/h7-8,12H,1-6,9-10H2,(H,18,19)
InChIKeyUZYMMQIQVHGRBA-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.69
Rot. Bonds3

About 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole

3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 126947027) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID126947027
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESBrc1cnn(C2CCN(Cc3n[nH]c4c3CCCC4)C2)c1
InChIInChI=1S/C15H20BrN5/c16-11-7-17-21(8-11)12-5-6-20(9-12)10-15-13-3-1-2-4-14(13)18-19-15/h7-8,12H,1-6,9-10H2,(H,18,19)
InChIKeyUZYMMQIQVHGRBA-UHFFFAOYSA-N
XLogP2.69
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126946602
1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948421
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole
CID 126947018
1-[2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepan-2-one
CID 126947041
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 126946968
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole
CID 126946981
(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide
CID 166315046
2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126946939
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 126947072
1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948066
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
CID 126946963

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole (CID 126947027) is 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole is Brc1cnn(C2CCN(Cc3n[nH]c4c3CCCC4)C2)c1.
What is the InChIKey of 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is UZYMMQIQVHGRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c16-11-7-17-21(8-11)12-5-6-20(9-12)10-15-13-3-1-2-4-14(13)18-19-15/h7-8,12H,1-6,9-10H2,(H,18,19).
What are the key properties of 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 350.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 126947027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).