3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine

C13H16ClN3 — CID 117378006

IUPAC3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
SMILESCC(C)c1ccc(Cl)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C13H16ClN3/c1-8(2)10-5-4-9(14)6-11(10)12-7-13(15)17(3)16-12/h4-8H,15H2,1-3H3
InChIKeyFCVPDAUTWBQCRP-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.45
Rot. Bonds2

About 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine

3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117378006) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117378006
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
SMILESCC(C)c1ccc(Cl)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C13H16ClN3/c1-8(2)10-5-4-9(14)6-11(10)12-7-13(15)17(3)16-12/h4-8H,15H2,1-3H3
InChIKeyFCVPDAUTWBQCRP-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine
CID 117445231
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol
CID 115111899
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010
3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117346333
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
2-(5-chloro-2-propan-2-ylphenyl)naphthalene
CID 142314685
3-(5-chloro-2-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117418369
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine (CID 117378006) is 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine is CC(C)c1ccc(Cl)cc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is FCVPDAUTWBQCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8(2)10-5-4-9(14)6-11(10)12-7-13(15)17(3)16-12/h4-8H,15H2,1-3H3.
What are the key properties of 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 249.75 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117378006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).