N-[(1-benzylpyrazol-4-yl)methyl]aniline

C17H17N3 — CID 43503098

IUPACN-[(1-benzylpyrazol-4-yl)methyl]aniline
SMILESc1ccc(Cn2cc(CNc3ccccc3)cn2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-20-14-16(12-19-20)11-18-17-9-5-2-6-10-17/h1-10,12,14,18H,11,13H2
InChIKeyYCXJZWYDBQNMSX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.54
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]aniline

N-[(1-benzylpyrazol-4-yl)methyl]aniline (PubChem CID 43503098) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]aniline
PubChem CID43503098
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]aniline
SMILESc1ccc(Cn2cc(CNc3ccccc3)cn2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-20-14-16(12-19-20)11-18-17-9-5-2-6-10-17/h1-10,12,14,18H,11,13H2
InChIKeyYCXJZWYDBQNMSX-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-4-iodoaniline
CID 43503117
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloroaniline
CID 43503102
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 78879011
N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
CID 97236747
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
CID 133374077
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
2-(azepan-1-yl)-N-[4-[(1-benzylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 112839507
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]aniline?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]aniline (CID 43503098) is N-[(1-benzylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]aniline is c1ccc(Cn2cc(CNc3ccccc3)cn2)cc1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]aniline?
The InChIKey is YCXJZWYDBQNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-20-14-16(12-19-20)11-18-17-9-5-2-6-10-17/h1-10,12,14,18H,11,13H2.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]aniline?
N-[(1-benzylpyrazol-4-yl)methyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43503098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).