N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide

C19H20N4O — CID 71918486

IUPACN-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-15(24)21-18-9-7-16(8-10-18)13-20-19-11-12-23(22-19)14-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,20,22)(H,21,24)
InChIKeyYOOASRZSJGSGRJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide

N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide (PubChem CID 71918486) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide
PubChem CID71918486
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-15(24)21-18-9-7-16(8-10-18)13-20-19-11-12-23(22-19)14-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,20,22)(H,21,24)
InChIKeyYOOASRZSJGSGRJ-UHFFFAOYSA-N
XLogP3.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide (CID 71918486) is N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide?
The InChIKey is YOOASRZSJGSGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(24)21-18-9-7-16(8-10-18)13-20-19-11-12-23(22-19)14-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide?
N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 71918486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).