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

C11H21N3 — CID 112669727

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
SMILESCCc1nn(C)cc1CC(N)C(C)C
InChIInChI=1S/C11H21N3/c1-5-11-9(7-14(4)13-11)6-10(12)8(2)3/h7-8,10H,5-6,12H2,1-4H3
InChIKeyZMJFTQLHDBJJRC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.51
Rot. Bonds4

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

1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine (PubChem CID 112669727) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
PubChem CID112669727
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
SMILESCCc1nn(C)cc1CC(N)C(C)C
InChIInChI=1S/C11H21N3/c1-5-11-9(7-14(4)13-11)6-10(12)8(2)3/h7-8,10H,5-6,12H2,1-4H3
InChIKeyZMJFTQLHDBJJRC-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
CID 112669719
N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide
CID 112672029
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
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
4-(3-ethyl-1-methylpyrazol-4-yl)but-3-yn-2-amine
CID 114418915
tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103522406
(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 97335185
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine (CID 112669727) is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine is CCc1nn(C)cc1CC(N)C(C)C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine?
The InChIKey is ZMJFTQLHDBJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-11-9(7-14(4)13-11)6-10(12)8(2)3/h7-8,10H,5-6,12H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine?
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.51, 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)-3-methylbutan-2-amine is sourced from PubChem (CID 112669727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).