[3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine

C9H12FN5 — CID 123517826

IUPAC[3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine
SMILESCn1cc(C2=CN=C(NN)C(F)C2)cn1
InChIInChI=1S/C9H12FN5/c1-15-5-7(4-13-15)6-2-8(10)9(14-11)12-3-6/h3-5,8H,2,11H2,1H3,(H,12,14)
InChIKeyBIMVUQMEKXIRBP-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.36
Rot. Bonds1

About [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine

[3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine (PubChem CID 123517826) has the molecular formula C9H12FN5 and a molecular weight of 209.23 g/mol. Its IUPAC name is [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine
PubChem CID123517826
Molecular FormulaC9H12FN5
Molecular Weight209.23 g/mol
Exact Mass209.11
IUPAC Name[3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine
SMILESCn1cc(C2=CN=C(NN)C(F)C2)cn1
InChIInChI=1S/C9H12FN5/c1-15-5-7(4-13-15)6-2-8(10)9(14-11)12-3-6/h3-5,8H,2,11H2,1H3,(H,12,14)
InChIKeyBIMVUQMEKXIRBP-UHFFFAOYSA-N
XLogP0.36
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.36
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

[5-Fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-6-yl]hydrazine
CID 139386897
4-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1H-pyrimidine-2,4-diamine
CID 151949840
N-[(Z)-2-fluoro-1-hydrazinylbut-1-enyl]-3-(1-methylpyrazol-4-yl)propan-1-imine
CID 173817807
2-Fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103023149
[1,1,1-Trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025722
[1,1,1-Trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025856
[1,1-Difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103027033
3-Fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 104277020
[3,3,3-Trifluoro-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105205906
[1-(1-Ethylpyrazol-4-yl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205923
[1-(1-Ethylpyrazol-4-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105205954
[3,3,3-Trifluoro-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105205955

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine?
The IUPAC name of [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine (CID 123517826) is [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine.
What is the SMILES notation for [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine?
The canonical SMILES for [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine is Cn1cc(C2=CN=C(NN)C(F)C2)cn1.
What is the InChIKey of [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine?
The InChIKey is BIMVUQMEKXIRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN5/c1-15-5-7(4-13-15)6-2-8(10)9(14-11)12-3-6/h3-5,8H,2,11H2,1H3,(H,12,14).
What are the key properties of [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine?
[3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine has a molecular weight of 209.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine is sourced from PubChem (CID 123517826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).