3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine

C14H17Cl2N3 — CID 114079681

IUPAC3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H17Cl2N3/c1-3-9(4-2)19-8-12(17)14(18-19)10-6-5-7-11(15)13(10)16/h5-9H,3-4,17H2,1-2H3
InChIKeyIXWASQPWBKIPND-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.80
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine

3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine (PubChem CID 114079681) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine
PubChem CID114079681
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H17Cl2N3/c1-3-9(4-2)19-8-12(17)14(18-19)10-6-5-7-11(15)13(10)16/h5-9H,3-4,17H2,1-2H3
InChIKeyIXWASQPWBKIPND-UHFFFAOYSA-N
XLogP4.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine
CID 83203364
1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine
CID 83218420
3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazol-4-amine
CID 106758620
3-methyl-1-pentan-3-ylpyrazol-4-amine
CID 79421536
1-butan-2-yl-3-(2,5-dichlorophenyl)pyrazol-4-amine
CID 83218434
3-(2-chlorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
CID 83217910
3-(5-bromothiophen-2-yl)-1-pentan-3-ylpyrazol-4-amine
CID 83217813
5-(2,3-dichlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 62218305
3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine
CID 83218503
1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine
CID 83203363
5-(2,3-dichlorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 62219220
3-benzyl-5-(2,3-dichlorophenyl)imidazol-4-amine
CID 62017945

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine (CID 114079681) is 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine is CCC(CC)n1cc(N)c(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine?
The InChIKey is IXWASQPWBKIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-3-9(4-2)19-8-12(17)14(18-19)10-6-5-7-11(15)13(10)16/h5-9H,3-4,17H2,1-2H3.
What are the key properties of 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine?
3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine has a molecular weight of 298.22 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine is sourced from PubChem (CID 114079681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).