N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine

C20H21N3O — CID 70361983

IUPACN-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine
SMILESCOc1ccc(NC2CCNN2c2cccc3ccccc23)cc1
InChIInChI=1S/C20H21N3O/c1-24-17-11-9-16(10-12-17)22-20-13-14-21-23(20)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,20-22H,13-14H2,1H3
InChIKeyYUSFRIVSEQQJHF-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.00
Rot. Bonds4

About N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine

N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine (PubChem CID 70361983) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine
PubChem CID70361983
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine
SMILESCOc1ccc(NC2CCNN2c2cccc3ccccc23)cc1
InChIInChI=1S/C20H21N3O/c1-24-17-11-9-16(10-12-17)22-20-13-14-21-23(20)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,20-22H,13-14H2,1H3
InChIKeyYUSFRIVSEQQJHF-UHFFFAOYSA-N
XLogP4.00
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine (CID 70361983) is N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine is COc1ccc(NC2CCNN2c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine?
The InChIKey is YUSFRIVSEQQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-24-17-11-9-16(10-12-17)22-20-13-14-21-23(20)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,20-22H,13-14H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine?
N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine has a molecular weight of 319.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine is sourced from PubChem (CID 70361983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).