5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine

C12H13Cl2N3 — CID 63529596

IUPAC5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1
InChIInChI=1S/C12H13Cl2N3/c1-2-5-15-12-7-11(16-17-12)8-3-4-9(13)10(14)6-8/h3-4,6-7H,2,5H2,1H3,(H2,15,16,17)
InChIKeyVQDDYPZIDZCFTA-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.21
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine

5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine (PubChem CID 63529596) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
PubChem CID63529596
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1
InChIInChI=1S/C12H13Cl2N3/c1-2-5-15-12-7-11(16-17-12)8-3-4-9(13)10(14)6-8/h3-4,6-7H,2,5H2,1H3,(H2,15,16,17)
InChIKeyVQDDYPZIDZCFTA-UHFFFAOYSA-N
XLogP4.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63047423
5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63048476
5-(2-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047967
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 63479985
5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63050054
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
CID 55145955
N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
CID 63050056
5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 55145366
N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
CID 162315025
5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047445

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine (CID 63529596) is 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine is CCCNc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine?
The InChIKey is VQDDYPZIDZCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-2-5-15-12-7-11(16-17-12)8-3-4-9(13)10(14)6-8/h3-4,6-7H,2,5H2,1H3,(H2,15,16,17).
What are the key properties of 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine?
5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine has a molecular weight of 270.16 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63529596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).