4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide

C19H18N4O2 — CID 134000714

IUPAC4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H18N4O2/c20-18(24)15-6-8-16(9-7-15)19(25)21-11-10-14-12-22-23(13-14)17-4-2-1-3-5-17/h1-9,12-13H,10-11H2,(H2,20,24)(H,21,25)
InChIKeyODTMNIFHGCRCCB-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.94
Rot. Bonds6

About 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide

4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 134000714) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
PubChem CID134000714
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H18N4O2/c20-18(24)15-6-8-16(9-7-15)19(25)21-11-10-14-12-22-23(13-14)17-4-2-1-3-5-17/h1-9,12-13H,10-11H2,(H2,20,24)(H,21,25)
InChIKeyODTMNIFHGCRCCB-UHFFFAOYSA-N
XLogP1.94
TPSA90.01 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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16606761
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131935956
N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 16613872
(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27318826
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000630

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide (CID 134000714) is 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is ODTMNIFHGCRCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-18(24)15-6-8-16(9-7-15)19(25)21-11-10-14-12-22-23(13-14)17-4-2-1-3-5-17/h1-9,12-13H,10-11H2,(H2,20,24)(H,21,25).
What are the key properties of 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide?
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 134000714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).