3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine

C13H16ClN3 — CID 2973588

IUPAC3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3
InChIKeyIWCLOZVCLBLBQX-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.41
Rot. Bonds1

About 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine

3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine (PubChem CID 2973588) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine
PubChem CID2973588
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H16ClN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3
InChIKeyIWCLOZVCLBLBQX-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
1-(3-Tert-Butyl-1-Phenyl-1h-Pyrazol-5-Yl)-3-(2,3-Dichlorophenyl)urea
CID 5327064
Pyrazolourea, 1a
CID 25210518
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine (CID 2973588) is 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine?
The InChIKey is IWCLOZVCLBLBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-5-9(14)7-10/h4-8H,15H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine?
3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine has a molecular weight of 249.75 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 2973588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).