1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine

C16H21Cl2N3 — CID 103009693

IUPAC1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCc1ccnn1C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H21Cl2N3/c1-3-19-12(7-8-13-9-10-20-21(13)2)11-14-15(17)5-4-6-16(14)18/h4-6,9-10,12,19H,3,7-8,11H2,1-2H3
InChIKeyBMICTKJRAHGFIF-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.88
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine

1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103009693) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103009693
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCc1ccnn1C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H21Cl2N3/c1-3-19-12(7-8-13-9-10-20-21(13)2)11-14-15(17)5-4-6-16(14)18/h4-6,9-10,12,19H,3,7-8,11H2,1-2H3
InChIKeyBMICTKJRAHGFIF-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026695
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
1-(3-bromophenyl)sulfanyl-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103010950
N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
CID 103030436
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030450
1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103149610
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 79088008
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103009693) is 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine is CCNC(CCc1ccnn1C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is BMICTKJRAHGFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-3-19-12(7-8-13-9-10-20-21(13)2)11-14-15(17)5-4-6-16(14)18/h4-6,9-10,12,19H,3,7-8,11H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 326.27 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103009693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).