N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine

C13H25N3 — CID 115757239

IUPACN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCCc1cn(C)nc1C
InChIInChI=1S/C13H25N3/c1-5-12(6-2)9-14-8-7-13-10-16(4)15-11(13)3/h10,12,14H,5-9H2,1-4H3
InChIKeyLAMJVJQQTWKZDN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine

N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine (PubChem CID 115757239) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine
PubChem CID115757239
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCCc1cn(C)nc1C
InChIInChI=1S/C13H25N3/c1-5-12(6-2)9-14-8-7-13-10-16(4)15-11(13)3/h10,12,14H,5-9H2,1-4H3
InChIKeyLAMJVJQQTWKZDN-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115751852
4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 83094527
1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115895156
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine
CID 115895160
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 115895157
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride
CID 170889539
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115767853
N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 112671374
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 126964368

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine (CID 115757239) is N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine is CCC(CC)CNCCc1cn(C)nc1C.
What is the InChIKey of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine?
The InChIKey is LAMJVJQQTWKZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-12(6-2)9-14-8-7-13-10-16(4)15-11(13)3/h10,12,14H,5-9H2,1-4H3.
What are the key properties of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine?
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 115757239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).