[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine

C14H18Cl2N4 — CID 103026695

IUPAC[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
SMILESCn1nccc1CCC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C14H18Cl2N4/c1-20-11(7-8-18-20)6-5-10(19-17)9-12-13(15)3-2-4-14(12)16/h2-4,7-8,10,19H,5-6,9,17H2,1H3
InChIKeyAVTWSDDNODLIBS-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.73
Rot. Bonds6

About [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine

[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine (PubChem CID 103026695) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
PubChem CID103026695
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
SMILESCn1nccc1CCC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C14H18Cl2N4/c1-20-11(7-8-18-20)6-5-10(19-17)9-12-13(15)3-2-4-14(12)16/h2-4,7-8,10,19H,5-6,9,17H2,1H3
InChIKeyAVTWSDDNODLIBS-UHFFFAOYSA-N
XLogP2.73
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
[1-(3,5-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026693
[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209742
[1-(2,6-dichlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105209868
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014266
[5-chloro-1-(2,6-dichlorophenyl)pentan-2-yl]hydrazine
CID 105235514
[1-(3-chloro-4-iodophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103217868
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine (CID 103026695) is [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine is Cn1nccc1CCC(Cc1c(Cl)cccc1Cl)NN.
What is the InChIKey of [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine?
The InChIKey is AVTWSDDNODLIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c1-20-11(7-8-18-20)6-5-10(19-17)9-12-13(15)3-2-4-14(12)16/h2-4,7-8,10,19H,5-6,9,17H2,1H3.
What are the key properties of [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine?
[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine has a molecular weight of 313.23 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 103026695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).