1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine

C10H19N3 — CID 112669719

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
SMILESCCc1nn(C)cc1CC(N)CC
InChIInChI=1S/C10H19N3/c1-4-9(11)6-8-7-13(3)12-10(8)5-2/h7,9H,4-6,11H2,1-3H3
InChIKeyWSRJYCQRYCQWSE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.26
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine

1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 112669719) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
PubChem CID112669719
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
SMILESCCc1nn(C)cc1CC(N)CC
InChIInChI=1S/C10H19N3/c1-4-9(11)6-8-7-13(3)12-10(8)5-2/h7,9H,4-6,11H2,1-3H3
InChIKeyWSRJYCQRYCQWSE-UHFFFAOYSA-N
XLogP1.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
CID 112669727
1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride
CID 170889539
N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide
CID 112672029
tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103522406
2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671
(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 97335185
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one
CID 115990294
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 103955907
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 112670019

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine (CID 112669719) is 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine is CCc1nn(C)cc1CC(N)CC.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is WSRJYCQRYCQWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-9(11)6-8-7-13(3)12-10(8)5-2/h7,9H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 112669719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).