4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol

C18H25BrN4O — CID 120962385

IUPAC4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESCC(C)c1nn(-c2ccc(Br)cc2)cc1CNCC1CNCC1O
InChIInChI=1S/C18H25BrN4O/c1-12(2)18-14(9-20-7-13-8-21-10-17(13)24)11-23(22-18)16-5-3-15(19)4-6-16/h3-6,11-13,17,20-21,24H,7-10H2,1-2H3
InChIKeyJECASZPRKPLVKR-UHFFFAOYSA-N
MW393.33 g/mol
LogP2.43
Rot. Bonds6

About 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol

4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962385) has the molecular formula C18H25BrN4O and a molecular weight of 393.33 g/mol. Its IUPAC name is 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962385
Molecular FormulaC18H25BrN4O
Molecular Weight393.33 g/mol
Exact Mass392.12
IUPAC Name4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
SMILESCC(C)c1nn(-c2ccc(Br)cc2)cc1CNCC1CNCC1O
InChIInChI=1S/C18H25BrN4O/c1-12(2)18-14(9-20-7-13-8-21-10-17(13)24)11-23(22-18)16-5-3-15(19)4-6-16/h3-6,11-13,17,20-21,24H,7-10H2,1-2H3
InChIKeyJECASZPRKPLVKR-UHFFFAOYSA-N
XLogP2.43
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

4-[[(4-bromo-2-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962614
4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962970
4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962279
4-[[(2-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962257
4-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962048
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
(2S)-1-[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038859
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962517
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962374
4-[[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120961953
4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961946

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol (CID 120962385) is 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol is CC(C)c1nn(-c2ccc(Br)cc2)cc1CNCC1CNCC1O.
What is the InChIKey of 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is JECASZPRKPLVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O/c1-12(2)18-14(9-20-7-13-8-21-10-17(13)24)11-23(22-18)16-5-3-15(19)4-6-16/h3-6,11-13,17,20-21,24H,7-10H2,1-2H3.
What are the key properties of 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol?
4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 393.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).