N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine

C12H23N3 — CID 43751933

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
SMILESCc1c(C(C)NC(C)C(C)C)cnn1C
InChIInChI=1S/C12H23N3/c1-8(2)9(3)14-10(4)12-7-13-15(6)11(12)5/h7-10,14H,1-6H3
InChIKeyRUVGRWDZQZGSCV-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 43751933) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
PubChem CID43751933
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
SMILESCc1c(C(C)NC(C)C(C)C)cnn1C
InChIInChI=1S/C12H23N3/c1-8(2)9(3)14-10(4)12-7-13-15(6)11(12)5/h7-10,14H,1-6H3
InChIKeyRUVGRWDZQZGSCV-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43751954
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43751841
1-(3,4-difluorophenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propan-1-ol
CID 110011198
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 103910362
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43751923
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43752001
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62090519
1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751905

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine (CID 43751933) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine is Cc1c(C(C)NC(C)C(C)C)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is RUVGRWDZQZGSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-8(2)9(3)14-10(4)12-7-13-15(6)11(12)5/h7-10,14H,1-6H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43751933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).