1-(1,3-diethylpyrazol-5-yl)hexan-2-amine

C13H25N3 — CID 79411779

IUPAC1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
SMILESCCCCC(N)Cc1cc(CC)nn1CC
InChIInChI=1S/C13H25N3/c1-4-7-8-11(14)9-13-10-12(5-2)15-16(13)6-3/h10-11H,4-9,14H2,1-3H3
InChIKeyKLNCIIDATUKHIJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.53
Rot. Bonds7

About 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine

1-(1,3-diethylpyrazol-5-yl)hexan-2-amine (PubChem CID 79411779) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
PubChem CID79411779
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
SMILESCCCCC(N)Cc1cc(CC)nn1CC
InChIInChI=1S/C13H25N3/c1-4-7-8-11(14)9-13-10-12(5-2)15-16(13)6-3/h10-11H,4-9,14H2,1-3H3
InChIKeyKLNCIIDATUKHIJ-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
1-(1,3-diethylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79412564
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475043
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105161642
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
CID 66147462
2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105001646
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 105001734
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine (CID 79411779) is 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine is CCCCC(N)Cc1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine?
The InChIKey is KLNCIIDATUKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-7-8-11(14)9-13-10-12(5-2)15-16(13)6-3/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine?
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)hexan-2-amine is sourced from PubChem (CID 79411779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).