[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine

C16H21BrN4 — CID 105217367

IUPAC[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H21BrN4/c1-2-21-14(13(17)11-19-21)15(20-18)16(9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,11,15,20H,2,6,9-10,18H2,1H3
InChIKeyIXNKIQLKOKXYRZ-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.29
Rot. Bonds5

About [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine

[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine (PubChem CID 105217367) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine
PubChem CID105217367
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H21BrN4/c1-2-21-14(13(17)11-19-21)15(20-18)16(9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,11,15,20H,2,6,9-10,18H2,1H3
InChIKeyIXNKIQLKOKXYRZ-UHFFFAOYSA-N
XLogP3.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(4-bromo-1-ethylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276358
[(2-ethylpyrazol-3-yl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217491
[(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217294
[(1-phenylcyclobutyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217295
[(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217366
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114660920
(4-chloro-1-ethylpyrazol-5-yl)-(1-phenylcyclopentyl)methanamine
CID 114650869
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
CID 105336163
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 114660949

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine (CID 105217367) is [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine is CCn1ncc(Br)c1C(NN)C1(c2ccccc2)CCC1.
What is the InChIKey of [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine?
The InChIKey is IXNKIQLKOKXYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-2-21-14(13(17)11-19-21)15(20-18)16(9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,11,15,20H,2,6,9-10,18H2,1H3.
What are the key properties of [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine?
[(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine has a molecular weight of 349.28 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-ethylpyrazol-5-yl)-(1-phenylcyclobutyl)methyl]hydrazine is sourced from PubChem (CID 105217367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).