1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol

C15H21BrN4O — CID 75397634

IUPAC1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)Cn1cc(NCc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H21BrN4O/c1-19(2)10-15(21)11-20-9-14(8-18-20)17-7-12-3-5-13(16)6-4-12/h3-6,8-9,15,17,21H,7,10-11H2,1-2H3
InChIKeyCVIGDPUITMZONT-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.18
Rot. Bonds7

About 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol

1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol (PubChem CID 75397634) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol
PubChem CID75397634
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)Cn1cc(NCc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H21BrN4O/c1-19(2)10-15(21)11-20-9-14(8-18-20)17-7-12-3-5-13(16)6-4-12/h3-6,8-9,15,17,21H,7,10-11H2,1-2H3
InChIKeyCVIGDPUITMZONT-UHFFFAOYSA-N
XLogP2.18
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromobenzyl)-1H-pyrazol-4-yl]acetamide
CID 1246322
1-(4-Bromophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 53623200
1-(Dimethylamino)-3-[4-[(2,4,6-trimethylphenyl)methylamino]pyrazol-1-yl]propan-2-ol
CID 75397635
2-(4-bromophenyl)-N-[1-[2-hydroxy-3-[methoxy(methyl)amino]propyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 75398261
2-[(3-Bromophenyl)methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 121537769
N-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-1H-pyrazol-4-amine
CID 43534732
2-[4-[[1-[(3-bromo-5-fluorophenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 142790419
2-[4-[[1-[(3-bromo-2-fluorophenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 142790435
1-(4-bromobenzyl)-1H-pyrazol-4-amine
CID 4765195
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
CID 19403956
1-(4-Aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
CID 43175685
1-(4-Bromo-2-fluorobenzyl)-1h-pyrazol-4-amine
CID 43438686

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol (CID 75397634) is 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol is CN(C)CC(O)Cn1cc(NCc2ccc(Br)cc2)cn1.
What is the InChIKey of 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol?
The InChIKey is CVIGDPUITMZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-19(2)10-15(21)11-20-9-14(8-18-20)17-7-12-3-5-13(16)6-4-12/h3-6,8-9,15,17,21H,7,10-11H2,1-2H3.
What are the key properties of 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol?
1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol has a molecular weight of 353.26 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methylamino]pyrazol-1-yl]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 75397634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).