1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride

C18H22ClN5 — CID 71933909

IUPAC1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride
SMILESCl.Nc1cc(CCCNCc2cccnc2)nn1-c1ccccc1
InChIInChI=1S/C18H21N5.ClH/c19-18-12-16(22-23(18)17-8-2-1-3-9-17)7-5-11-21-14-15-6-4-10-20-13-15;/h1-4,6,8-10,12-13,21H,5,7,11,14,19H2;1H
InChIKeyVAWHYBLFABANOB-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.99
Rot. Bonds7

About 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride

1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride (PubChem CID 71933909) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride
PubChem CID71933909
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC Name1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride
SMILESCl.Nc1cc(CCCNCc2cccnc2)nn1-c1ccccc1
InChIInChI=1S/C18H21N5.ClH/c19-18-12-16(22-23(18)17-8-2-1-3-9-17)7-5-11-21-14-15-6-4-10-20-13-15;/h1-4,6,8-10,12-13,21H,5,7,11,14,19H2;1H
InChIKeyVAWHYBLFABANOB-UHFFFAOYSA-N
XLogP2.99
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride?
The IUPAC name of 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride (CID 71933909) is 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride?
The canonical SMILES for 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride is Cl.Nc1cc(CCCNCc2cccnc2)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride?
The InChIKey is VAWHYBLFABANOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5.ClH/c19-18-12-16(22-23(18)17-8-2-1-3-9-17)7-5-11-21-14-15-6-4-10-20-13-15;/h1-4,6,8-10,12-13,21H,5,7,11,14,19H2;1H.
What are the key properties of 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride?
1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-(pyridin-3-ylmethylamino)propyl]pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 71933909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).