2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine

C15H20ClN3 — CID 95481921

IUPAC2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
SMILESCc1c(Cl)cccc1-n1ncc(CCN)c1C(C)C
InChIInChI=1S/C15H20ClN3/c1-10(2)15-12(7-8-17)9-18-19(15)14-6-4-5-13(16)11(14)3/h4-6,9-10H,7-8,17H2,1-3H3
InChIKeyXUTWTXGOOXNREK-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.46
Rot. Bonds4

About 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine

2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine (PubChem CID 95481921) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
PubChem CID95481921
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
SMILESCc1c(Cl)cccc1-n1ncc(CCN)c1C(C)C
InChIInChI=1S/C15H20ClN3/c1-10(2)15-12(7-8-17)9-18-19(15)14-6-4-5-13(16)11(14)3/h4-6,9-10H,7-8,17H2,1-3H3
InChIKeyXUTWTXGOOXNREK-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chloro-2-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethanamine
CID 98022097
2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 82300177
4-(chloromethyl)-1-(2-chlorophenyl)-5-propan-2-ylpyrazole
CID 66436399
[1-(3-chloro-2-methylphenyl)-5-ethylpyrazol-4-yl]methanamine
CID 82297300
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol
CID 82528154
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
CID 95474666
2-[1-(3-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82091408
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride
CID 86775375
[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440251
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine (CID 95481921) is 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine is Cc1c(Cl)cccc1-n1ncc(CCN)c1C(C)C.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine?
The InChIKey is XUTWTXGOOXNREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-10(2)15-12(7-8-17)9-18-19(15)14-6-4-5-13(16)11(14)3/h4-6,9-10H,7-8,17H2,1-3H3.
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine?
2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 95481921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).