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

C13H25N3 — CID 65191908

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine
SMILESCc1nn(C)cc1C(C)NC(C)CC(C)C
InChIInChI=1S/C13H25N3/c1-9(2)7-10(3)14-11(4)13-8-16(6)15-12(13)5/h8-11,14H,7H2,1-6H3
InChIKeyJIWQWOPFJHLINA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.81
Rot. Bonds5

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

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine (PubChem CID 65191908) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine
PubChem CID65191908
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine
SMILESCc1nn(C)cc1C(C)NC(C)CC(C)C
InChIInChI=1S/C13H25N3/c1-9(2)7-10(3)14-11(4)13-8-16(6)15-12(13)5/h8-11,14H,7H2,1-6H3
InChIKeyJIWQWOPFJHLINA-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 65191852
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-phenylethanamine
CID 81351580
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
CID 82706207
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide
CID 65192271
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83088538
1-(1,3-dimethylpyrazol-4-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 65197277
1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700537

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine (CID 65191908) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine is Cc1nn(C)cc1C(C)NC(C)CC(C)C.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine?
The InChIKey is JIWQWOPFJHLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)7-10(3)14-11(4)13-8-16(6)15-12(13)5/h8-11,14H,7H2,1-6H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 65191908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).