(1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C14H16N4O2 — CID 124854161

IUPAC(1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccn[nH]1)CCC2
InChIInChI=1S/C14H16N4O2/c19-18(20)12-5-4-10-2-1-3-14(13(10)8-12)15-9-11-6-7-16-17-11/h4-8,14-15H,1-3,9H2,(H,16,17)/t14-/m1/s1
InChIKeyWSVNESACOYHIKS-CQSZACIVSA-N
MW272.31 g/mol
LogP2.49
Rot. Bonds4

About (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 124854161) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID124854161
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESO=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccn[nH]1)CCC2
InChIInChI=1S/C14H16N4O2/c19-18(20)12-5-4-10-2-1-3-14(13(10)8-12)15-9-11-6-7-16-17-11/h4-8,14-15H,1-3,9H2,(H,16,17)/t14-/m1/s1
InChIKeyWSVNESACOYHIKS-CQSZACIVSA-N
XLogP2.49
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 124854161) is (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccn[nH]1)CCC2.
What is the InChIKey of (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WSVNESACOYHIKS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-18(20)12-5-4-10-2-1-3-14(13(10)8-12)15-9-11-6-7-16-17-11/h4-8,14-15H,1-3,9H2,(H,16,17)/t14-/m1/s1.
What are the key properties of (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-nitro-N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 124854161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).