N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine

C19H24N6O3 — CID 176718212

IUPACN,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine
SMILESCN(C)CCn1cc2cc([N+](=O)[O-])c(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C19H24N6O3/c1-22(2)8-9-23-13-14-11-18(25(26)27)15(12-16(14)21-23)17-6-7-20-24(17)19-5-3-4-10-28-19/h6-7,11-13,19H,3-5,8-10H2,1-2H3
InChIKeyKUACDLDXBJWKBK-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.07
Rot. Bonds6

About N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine

N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine (PubChem CID 176718212) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine
PubChem CID176718212
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine
SMILESCN(C)CCn1cc2cc([N+](=O)[O-])c(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C19H24N6O3/c1-22(2)8-9-23-13-14-11-18(25(26)27)15(12-16(14)21-23)17-6-7-20-24(17)19-5-3-4-10-28-19/h6-7,11-13,19H,3-5,8-10H2,1-2H3
InChIKeyKUACDLDXBJWKBK-UHFFFAOYSA-N
XLogP3.07
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine (CID 176718212) is N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine is CN(C)CCn1cc2cc([N+](=O)[O-])c(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine?
The InChIKey is KUACDLDXBJWKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-22(2)8-9-23-13-14-11-18(25(26)27)15(12-16(14)21-23)17-6-7-20-24(17)19-5-3-4-10-28-19/h6-7,11-13,19H,3-5,8-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine?
N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine has a molecular weight of 384.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-nitro-6-[2-(oxan-2-yl)pyrazol-3-yl]indazol-2-yl]ethanamine is sourced from PubChem (CID 176718212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).