2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide

C19H20N4O2 — CID 110121723

IUPAC2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccccc2-n2cc(CN)cn2)c1
InChIInChI=1S/C19H20N4O2/c1-25-16-6-4-5-14(9-16)11-21-19(24)17-7-2-3-8-18(17)23-13-15(10-20)12-22-23/h2-9,12-13H,10-11,20H2,1H3,(H,21,24)
InChIKeyJEMYBKKBVWKXMY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.27
Rot. Bonds6

About 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide

2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 110121723) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID110121723
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccccc2-n2cc(CN)cn2)c1
InChIInChI=1S/C19H20N4O2/c1-25-16-6-4-5-14(9-16)11-21-19(24)17-7-2-3-8-18(17)23-13-15(10-20)12-22-23/h2-9,12-13H,10-11,20H2,1H3,(H,21,24)
InChIKeyJEMYBKKBVWKXMY-UHFFFAOYSA-N
XLogP2.27
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 110121723) is 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccccc2-n2cc(CN)cn2)c1.
What is the InChIKey of 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is JEMYBKKBVWKXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-16-6-4-5-14(9-16)11-21-19(24)17-7-2-3-8-18(17)23-13-15(10-20)12-22-23/h2-9,12-13H,10-11,20H2,1H3,(H,21,24).
What are the key properties of 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide?
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110121723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).