N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline

C17H19N3 — CID 890033

IUPACN,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
SMILESCN(C)c1ccc([C@@H]2CC=NN2c2ccccc2)cc1
InChIInChI=1S/C17H19N3/c1-19(2)15-10-8-14(9-11-15)17-12-13-18-20(17)16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyBGJLQYYGMXFXQQ-KRWDZBQOSA-N
MW265.36 g/mol
LogP3.69
Rot. Bonds3

About N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline

N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline (PubChem CID 890033) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
PubChem CID890033
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
SMILESCN(C)c1ccc([C@@H]2CC=NN2c2ccccc2)cc1
InChIInChI=1S/C17H19N3/c1-19(2)15-10-8-14(9-11-15)17-12-13-18-20(17)16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyBGJLQYYGMXFXQQ-KRWDZBQOSA-N
XLogP3.69
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline (CID 890033) is N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline is CN(C)c1ccc([C@@H]2CC=NN2c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The InChIKey is BGJLQYYGMXFXQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3/c1-19(2)15-10-8-14(9-11-15)17-12-13-18-20(17)16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3/t17-/m0/s1.
What are the key properties of N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline has a molecular weight of 265.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline is sourced from PubChem (CID 890033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).