N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline

C24H25N3 — CID 11405575

IUPACN,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
SMILESCc1ccccc1C1=NN(c2ccccc2)C(c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C24H25N3/c1-18-9-7-8-12-22(18)23-17-24(19-13-15-20(16-14-19)26(2)3)27(25-23)21-10-5-4-6-11-21/h4-16,24H,17H2,1-3H3
InChIKeySYALXCVGJYPRTK-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.42
Rot. Bonds4

About N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline

N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline (PubChem CID 11405575) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
PubChem CID11405575
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC NameN,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
SMILESCc1ccccc1C1=NN(c2ccccc2)C(c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C24H25N3/c1-18-9-7-8-12-22(18)23-17-24(19-13-15-20(16-14-19)26(2)3)27(25-23)21-10-5-4-6-11-21/h4-16,24H,17H2,1-3H3
InChIKeySYALXCVGJYPRTK-UHFFFAOYSA-N
XLogP5.42
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.42
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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Related Compounds

4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
N,N-dimethyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 7194736
4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164620461
N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline
CID 42645863
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 101464946
3-(4-methylphenyl)-5-[2-[5-[2-[3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]pentoxy]phenyl]-2-phenyl-3,4-dihydropyrazole
CID 102344163
N,N-dimethyl-4-[(3S)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 890033
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
4-[(3R)-3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 95863933
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 3743564

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline (CID 11405575) is N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline is Cc1ccccc1C1=NN(c2ccccc2)C(c2ccc(N(C)C)cc2)C1.
What is the InChIKey of N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The InChIKey is SYALXCVGJYPRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-18-9-7-8-12-22(18)23-17-24(19-13-15-20(16-14-19)26(2)3)27(25-23)21-10-5-4-6-11-21/h4-16,24H,17H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline has a molecular weight of 355.49 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline is sourced from PubChem (CID 11405575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).