1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine

C14H18ClN3 — CID 113470210

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
SMILESCc1nn(C)c(Cl)c1CC(N)Cc1ccccc1
InChIInChI=1S/C14H18ClN3/c1-10-13(14(15)18(2)17-10)9-12(16)8-11-6-4-3-5-7-11/h3-7,12H,8-9,16H2,1-2H3
InChIKeyUWWKICLWVCHUHU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.49
Rot. Bonds4

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine (PubChem CID 113470210) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
PubChem CID113470210
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
SMILESCc1nn(C)c(Cl)c1CC(N)Cc1ccccc1
InChIInChI=1S/C14H18ClN3/c1-10-13(14(15)18(2)17-10)9-12(16)8-11-6-4-3-5-7-11/h3-7,12H,8-9,16H2,1-2H3
InChIKeyUWWKICLWVCHUHU-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
CID 103517071
1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035202
1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105089319
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
CID 114553831
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035077
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 105034993
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237757
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105180440
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105180396

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine (CID 113470210) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine is Cc1nn(C)c(Cl)c1CC(N)Cc1ccccc1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine?
The InChIKey is UWWKICLWVCHUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10-13(14(15)18(2)17-10)9-12(16)8-11-6-4-3-5-7-11/h3-7,12H,8-9,16H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine is sourced from PubChem (CID 113470210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).