1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine

C13H16ClN3 — CID 105423702

IUPAC1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(-c2ccccc2Cl)cnn1C
InChIInChI=1S/C13H16ClN3/c1-9(15)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeyNAKAMGHCFHOGKF-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.63
Rot. Bonds3

About 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine

1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine (PubChem CID 105423702) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine
PubChem CID105423702
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(-c2ccccc2Cl)cnn1C
InChIInChI=1S/C13H16ClN3/c1-9(15)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)14/h3-6,8-9H,7,15H2,1-2H3
InChIKeyNAKAMGHCFHOGKF-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423932
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423713
1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
CID 62755555
4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
CID 162636745
3-[4-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423824
1-[1-(2-chlorophenyl)pyrazol-4-yl]propan-2-amine
CID 83896850
1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine
CID 114081519
4-[3-chloro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117351866
1-(4-cyclobutyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105422897
1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
CID 83896907
1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105423541
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine?
The IUPAC name of 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine (CID 105423702) is 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine is CC(N)Cc1c(-c2ccccc2Cl)cnn1C.
What is the InChIKey of 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine?
The InChIKey is NAKAMGHCFHOGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9(15)7-13-11(8-16-17(13)2)10-5-3-4-6-12(10)14/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine?
1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine has a molecular weight of 249.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine is sourced from PubChem (CID 105423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).