[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine

C16H26N4S — CID 105296462

IUPAC[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCCc1ccc(CC(CCc2c(C)nn(C)c2C)NN)s1
InChIInChI=1S/C16H26N4S/c1-5-14-7-8-15(21-14)10-13(18-17)6-9-16-11(2)19-20(4)12(16)3/h7-8,13,18H,5-6,9-10,17H2,1-4H3
InChIKeyRIUBVJPSAQBGEV-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.67
Rot. Bonds7

About [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine

[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine (PubChem CID 105296462) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
PubChem CID105296462
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCCc1ccc(CC(CCc2c(C)nn(C)c2C)NN)s1
InChIInChI=1S/C16H26N4S/c1-5-14-7-8-15(21-14)10-13(18-17)6-9-16-11(2)19-20(4)12(16)3/h7-8,13,18H,5-6,9-10,17H2,1-4H3
InChIKeyRIUBVJPSAQBGEV-UHFFFAOYSA-N
XLogP2.67
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
[1-(4-iodophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105310364
1-(5-ethylthiophen-2-yl)hexan-2-ylhydrazine
CID 105245716
[1-(5-bromo-3-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105334822
1-(5-ethylthiophen-2-yl)decan-2-ylhydrazine
CID 105296454
1-(5-bromothiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105087287
[1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105249000
[1-(furan-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105305907
1-(4-bromothiophen-2-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105139256
[1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105296397
[6-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 105314157

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine (CID 105296462) is [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine is CCc1ccc(CC(CCc2c(C)nn(C)c2C)NN)s1.
What is the InChIKey of [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
The InChIKey is RIUBVJPSAQBGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-5-14-7-8-15(21-14)10-13(18-17)6-9-16-11(2)19-20(4)12(16)3/h7-8,13,18H,5-6,9-10,17H2,1-4H3.
What are the key properties of [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine?
[1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine has a molecular weight of 306.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethylthiophen-2-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105296462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).