1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine

C11H11Cl2N3 — CID 66425931

IUPAC1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine
SMILESCCc1c(N)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3/c1-2-11-10(14)6-15-16(11)7-3-4-8(12)9(13)5-7/h3-6H,2,14H2,1H3
InChIKeyHLAJRCWUQWPZKN-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.32
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine

1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine (PubChem CID 66425931) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine
PubChem CID66425931
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine
SMILESCCc1c(N)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3/c1-2-11-10(14)6-15-16(11)7-3-4-8(12)9(13)5-7/h3-6H,2,14H2,1H3
InChIKeyHLAJRCWUQWPZKN-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine (CID 66425931) is 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine is CCc1c(N)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine?
The InChIKey is HLAJRCWUQWPZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-2-11-10(14)6-15-16(11)7-3-4-8(12)9(13)5-7/h3-6H,2,14H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine?
1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine has a molecular weight of 256.14 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine is sourced from PubChem (CID 66425931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).