2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride

C17H22ClF2N5 — CID 163518460

IUPAC2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride
SMILESCl.NC1=NN(Cc2ccccc2F)CC1.NNCc1ccccc1F
InChIInChI=1S/C10H12FN3.C7H9FN2.ClH/c11-9-4-2-1-3-8(9)7-14-6-5-10(12)13-14;8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5-7H2,(H2,12,13);1-4,10H,5,9H2;1H
InChIKeyDITXRTCVAWYNEF-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.51
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride

2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride (PubChem CID 163518460) has the molecular formula C17H22ClF2N5 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride
PubChem CID163518460
Molecular FormulaC17H22ClF2N5
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Name2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride
SMILESCl.NC1=NN(Cc2ccccc2F)CC1.NNCc1ccccc1F
InChIInChI=1S/C10H12FN3.C7H9FN2.ClH/c11-9-4-2-1-3-8(9)7-14-6-5-10(12)13-14;8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5-7H2,(H2,12,13);1-4,10H,5,9H2;1H
InChIKeyDITXRTCVAWYNEF-UHFFFAOYSA-N
XLogP2.51
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.51
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride (CID 163518460) is 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride is Cl.NC1=NN(Cc2ccccc2F)CC1.NNCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride?
The InChIKey is DITXRTCVAWYNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3.C7H9FN2.ClH/c11-9-4-2-1-3-8(9)7-14-6-5-10(12)13-14;8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5-7H2,(H2,12,13);1-4,10H,5,9H2;1H.
What are the key properties of 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride?
2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-3,4-dihydropyrazol-5-amine;(2-fluorophenyl)methylhydrazine;hydrochloride is sourced from PubChem (CID 163518460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).