N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide

C19H18N4O2 — CID 47066196

IUPACN-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C19H18N4O2/c24-18(13-20-19(25)16-9-5-2-6-10-16)21-17-11-12-23(22-17)14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,20,25)(H,21,22,24)
InChIKeyNWPDMAUBKZYWMY-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.30
Rot. Bonds6

About N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide

N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 47066196) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID47066196
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C19H18N4O2/c24-18(13-20-19(25)16-9-5-2-6-10-16)21-17-11-12-23(22-17)14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,20,25)(H,21,22,24)
InChIKeyNWPDMAUBKZYWMY-UHFFFAOYSA-N
XLogP2.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
N-(1-benzylpyrazol-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 47062558
N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 47048680
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide (CID 47066196) is N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is NWPDMAUBKZYWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(13-20-19(25)16-9-5-2-6-10-16)21-17-11-12-23(22-17)14-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,20,25)(H,21,22,24).
What are the key properties of N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide?
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 47066196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).