3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine

C11H21N3 — CID 115970374

IUPAC3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
SMILESCc1[nH]ncc1C(C)NC(C)C(C)C
InChIInChI=1S/C11H21N3/c1-7(2)8(3)13-9(4)11-6-12-14-10(11)5/h6-9,13H,1-5H3,(H,12,14)
InChIKeyTZNCZVPKZWAAJA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.41
Rot. Bonds4

About 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine

3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine (PubChem CID 115970374) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
PubChem CID115970374
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
SMILESCc1[nH]ncc1C(C)NC(C)C(C)C
InChIInChI=1S/C11H21N3/c1-7(2)8(3)13-9(4)11-6-12-14-10(11)5/h6-9,13H,1-5H3,(H,12,14)
InChIKeyTZNCZVPKZWAAJA-UHFFFAOYSA-N
XLogP2.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115970276
4-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115972844
1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 115972460
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine
CID 115975774
1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 43209035
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115975791
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
CID 110011147
N'-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115971793
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326
2,3-dimethyl-1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]butan-2-ol
CID 110010541

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine (CID 115970374) is 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine is Cc1[nH]ncc1C(C)NC(C)C(C)C.
What is the InChIKey of 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine?
The InChIKey is TZNCZVPKZWAAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-7(2)8(3)13-9(4)11-6-12-14-10(11)5/h6-9,13H,1-5H3,(H,12,14).
What are the key properties of 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine?
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115970374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).