2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol

C16H18BrN5O — CID 167832284

IUPAC2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CNCc2cn[nH]c2-c2ccc(Br)cc2)cn1
InChIInChI=1S/C16H18BrN5O/c1-22-10-13(8-20-22)15(23)9-18-6-12-7-19-21-16(12)11-2-4-14(17)5-3-11/h2-5,7-8,10,15,18,23H,6,9H2,1H3,(H,19,21)
InChIKeyPUAGRSBWIYEYGQ-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.40
Rot. Bonds6

About 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol

2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 167832284) has the molecular formula C16H18BrN5O and a molecular weight of 376.26 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID167832284
Molecular FormulaC16H18BrN5O
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC Name2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CNCc2cn[nH]c2-c2ccc(Br)cc2)cn1
InChIInChI=1S/C16H18BrN5O/c1-22-10-13(8-20-22)15(23)9-18-6-12-7-19-21-16(12)11-2-4-14(17)5-3-11/h2-5,7-8,10,15,18,23H,6,9H2,1H3,(H,19,21)
InChIKeyPUAGRSBWIYEYGQ-UHFFFAOYSA-N
XLogP2.40
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol with MolForge

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Related Compounds

1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 51089422
(1S)-1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 94800566
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 110905460
N-[[5-(1-ethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79485662
(1S)-2-[(10-chloroanthracen-9-yl)methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 99811946
N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine
CID 6625394
1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 110889941
(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 95135767
4-[[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-2-one
CID 146145259
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol (CID 167832284) is 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)CNCc2cn[nH]c2-c2ccc(Br)cc2)cn1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is PUAGRSBWIYEYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O/c1-22-10-13(8-20-22)15(23)9-18-6-12-7-19-21-16(12)11-2-4-14(17)5-3-11/h2-5,7-8,10,15,18,23H,6,9H2,1H3,(H,19,21).
What are the key properties of 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol?
2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 376.26 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 167832284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).