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

C11H11Cl2N3 — CID 63047423

IUPAC5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1
InChIInChI=1S/C11H11Cl2N3/c1-2-14-11-6-10(15-16-11)7-3-4-8(12)9(13)5-7/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyPFWDRKDDBWSNNM-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.82
Rot. Bonds3

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

5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine (PubChem CID 63047423) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine
PubChem CID63047423
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1
InChIInChI=1S/C11H11Cl2N3/c1-2-14-11-6-10(15-16-11)7-3-4-8(12)9(13)5-7/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyPFWDRKDDBWSNNM-UHFFFAOYSA-N
XLogP3.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63529596
5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63050054
5-(3-bromophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63047953
5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63048476
N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 55145179
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
N-ethyl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 64993636
2,2-dimethyl-N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]propane-1,3-diamine
CID 24954229
5-(2-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047967
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455
N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
CID 55145955

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine (CID 63047423) is 5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine is CCNc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine?
The InChIKey is PFWDRKDDBWSNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-2-14-11-6-10(15-16-11)7-3-4-8(12)9(13)5-7/h3-6H,2H2,1H3,(H2,14,15,16).
What are the key properties of 5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine?
5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine has a molecular weight of 256.14 g/mol, XLogP of 3.82, 3 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-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).