N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline

C18H19N3 — CID 43644758

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline
SMILESCc1n[nH]c(C)c1CNc1ccccc1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-13-17(14(2)21-20-13)12-19-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3,(H,20,21)
InChIKeyYJDSPKAJFVYBIU-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.31
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline (PubChem CID 43644758) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline
PubChem CID43644758
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline
SMILESCc1n[nH]c(C)c1CNc1ccccc1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-13-17(14(2)21-20-13)12-19-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3,(H,20,21)
InChIKeyYJDSPKAJFVYBIU-UHFFFAOYSA-N
XLogP4.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline (CID 43644758) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline is Cc1n[nH]c(C)c1CNc1ccccc1-c1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline?
The InChIKey is YJDSPKAJFVYBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-17(14(2)21-20-13)12-19-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-11,19H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline has a molecular weight of 277.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylaniline is sourced from PubChem (CID 43644758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).