[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine

C13H16F2N4 — CID 103025740

IUPAC[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
SMILESCn1cc(CCC(NN)c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C13H16F2N4/c1-19-8-9(7-17-19)2-3-13(18-16)10-4-11(14)6-12(15)5-10/h4-8,13,18H,2-3,16H2,1H3
InChIKeyWNPRONYISGSWGZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.84
Rot. Bonds5

About [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine

[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine (PubChem CID 103025740) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
PubChem CID103025740
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
SMILESCn1cc(CCC(NN)c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C13H16F2N4/c1-19-8-9(7-17-19)2-3-13(18-16)10-4-11(14)6-12(15)5-10/h4-8,13,18H,2-3,16H2,1H3
InChIKeyWNPRONYISGSWGZ-UHFFFAOYSA-N
XLogP1.84
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.84
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

[1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105238664
[3-(1-methylpyrazol-4-yl)-1-(2-methyl-4-pyridinyl)propyl]hydrazine
CID 106756746
[1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025805
[3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propyl]hydrazine
CID 103025760
[1-(4-methoxythiophen-2-yl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025585
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
[4-ethoxy-4-ethyl-1-(1-methylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 103027107
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
[1-(3-methoxy-4-pyridinyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025843
2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014697
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine?
The IUPAC name of [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine (CID 103025740) is [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine.
What is the SMILES notation for [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine?
The canonical SMILES for [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine is Cn1cc(CCC(NN)c2cc(F)cc(F)c2)cn1.
What is the InChIKey of [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine?
The InChIKey is WNPRONYISGSWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-19-8-9(7-17-19)2-3-13(18-16)10-4-11(14)6-12(15)5-10/h4-8,13,18H,2-3,16H2,1H3.
What are the key properties of [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine?
[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine has a molecular weight of 266.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine is sourced from PubChem (CID 103025740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).