1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine

C12H22ClN3 — CID 79411894

IUPAC1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
SMILESCCCCC(N)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C12H22ClN3/c1-4-6-7-10(14)8-11-12(13)9(3)15-16(11)5-2/h10H,4-8,14H2,1-3H3
InChIKeyDQXQPPFKNGFLSW-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.92
Rot. Bonds6

About 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine (PubChem CID 79411894) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
PubChem CID79411894
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
SMILESCCCCC(N)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C12H22ClN3/c1-4-6-7-10(14)8-11-12(13)9(3)15-16(11)5-2/h10H,4-8,14H2,1-3H3
InChIKeyDQXQPPFKNGFLSW-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
CID 115813367
1-(4-chloro-1,3-dimethylpyrazol-5-yl)octan-2-amine
CID 104996704
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(4-methylphenyl)butan-2-amine
CID 105160058
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104998793
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 105160013
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979
4-chloro-5-(2-chloro-5,5-dimethylhexyl)-1-ethyl-3-methylpyrazole
CID 114211848
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056546
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-propoxybutan-2-ol
CID 105107429

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine?
The IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine (CID 79411894) is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine.
What is the SMILES notation for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine?
The canonical SMILES for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine is CCCCC(N)Cc1c(Cl)c(C)nn1CC.
What is the InChIKey of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine?
The InChIKey is DQXQPPFKNGFLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-4-6-7-10(14)8-11-12(13)9(3)15-16(11)5-2/h10H,4-8,14H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine?
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine has a molecular weight of 243.78 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine is sourced from PubChem (CID 79411894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).