4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine

C13H25N3 — CID 81013547

IUPAC4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
SMILESCCc1cc(CC(C)C(C)CN)n(CC)n1
InChIInChI=1S/C13H25N3/c1-5-12-8-13(16(6-2)15-12)7-10(3)11(4)9-14/h8,10-11H,5-7,9,14H2,1-4H3
InChIKeyAWHRVNVDQMVUDO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.24
Rot. Bonds6

About 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine

4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine (PubChem CID 81013547) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
PubChem CID81013547
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
SMILESCCc1cc(CC(C)C(C)CN)n(CC)n1
InChIInChI=1S/C13H25N3/c1-5-12-8-13(16(6-2)15-12)7-10(3)11(4)9-14/h8,10-11H,5-7,9,14H2,1-4H3
InChIKeyAWHRVNVDQMVUDO-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
2-[(1,3-diethylpyrazol-5-yl)methylsulfonyl]propan-1-amine
CID 81188101
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
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
2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83141535
[1-(1,3-diethylpyrazol-5-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222951
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574
N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83141508
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105318310

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine (CID 81013547) is 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine is CCc1cc(CC(C)C(C)CN)n(CC)n1.
What is the InChIKey of 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is AWHRVNVDQMVUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-12-8-13(16(6-2)15-12)7-10(3)11(4)9-14/h8,10-11H,5-7,9,14H2,1-4H3.
What are the key properties of 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine?
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 81013547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).