5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide

C19H16ClN3O2 — CID 16597188

IUPAC5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-13-7-5-12(6-8-13)18-15(11-21-23-18)19(24)22-16-9-10-25-17-4-2-1-3-14(16)17/h1-8,11,16H,9-10H2,(H,21,23)(H,22,24)
InChIKeyWYUQJSZCXUMTFT-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.98
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 16597188) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID16597188
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-13-7-5-12(6-8-13)18-15(11-21-23-18)19(24)22-16-9-10-25-17-4-2-1-3-14(16)17/h1-8,11,16H,9-10H2,(H,21,23)(H,22,24)
InChIKeyWYUQJSZCXUMTFT-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide (CID 16597188) is 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide is O=C(NC1CCOc2ccccc21)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is WYUQJSZCXUMTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-13-7-5-12(6-8-13)18-15(11-21-23-18)19(24)22-16-9-10-25-17-4-2-1-3-14(16)17/h1-8,11,16H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 16597188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).