2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol

C14H17Cl2N3O — CID 111469404

IUPAC2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1CNC(C)CO
InChIInChI=1S/C14H17Cl2N3O/c1-9(8-20)17-7-11-10(2)18-19(14(11)16)13-6-4-3-5-12(13)15/h3-6,9,17,20H,7-8H2,1-2H3
InChIKeyVQXDQSICQYSBMW-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.96
Rot. Bonds5

About 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol

2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol (PubChem CID 111469404) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol
PubChem CID111469404
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1CNC(C)CO
InChIInChI=1S/C14H17Cl2N3O/c1-9(8-20)17-7-11-10(2)18-19(14(11)16)13-6-4-3-5-12(13)15/h3-6,9,17,20H,7-8H2,1-2H3
InChIKeyVQXDQSICQYSBMW-UHFFFAOYSA-N
XLogP2.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 166187408
N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine
CID 75508270
5-chloro-1-(2-chlorophenyl)-3,4-dimethylpyrazole
CID 66023026
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 111449274
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
[5-chloro-1-(2-chlorophenyl)-3-(difluoromethyl)pyrazol-4-yl]methanol
CID 62892945
5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43381542
N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62131046
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
CID 115696021
(1S)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1-(2,4-difluorophenyl)ethanamine
CID 8688723
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol?
The IUPAC name of 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol (CID 111469404) is 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol is Cc1nn(-c2ccccc2Cl)c(Cl)c1CNC(C)CO.
What is the InChIKey of 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol?
The InChIKey is VQXDQSICQYSBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-9(8-20)17-7-11-10(2)18-19(14(11)16)13-6-4-3-5-12(13)15/h3-6,9,17,20H,7-8H2,1-2H3.
What are the key properties of 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol?
2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol has a molecular weight of 314.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]propan-1-ol is sourced from PubChem (CID 111469404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).