N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide

C20H19N3O2 — CID 167848351

IUPACN-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc3c2OCCC3)c1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23-18(14-7-3-2-4-8-14)16(13-21-23)20(24)22-17-11-5-9-15-10-6-12-25-19(15)17/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,22,24)
InChIKeyUVLLNQHJDVDWOA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.66
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide

N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide (PubChem CID 167848351) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide
PubChem CID167848351
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc3c2OCCC3)c1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-23-18(14-7-3-2-4-8-14)16(13-21-23)20(24)22-17-11-5-9-15-10-6-12-25-19(15)17/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,22,24)
InChIKeyUVLLNQHJDVDWOA-UHFFFAOYSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide (CID 167848351) is N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cccc3c2OCCC3)c1-c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide?
The InChIKey is UVLLNQHJDVDWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23-18(14-7-3-2-4-8-14)16(13-21-23)20(24)22-17-11-5-9-15-10-6-12-25-19(15)17/h2-5,7-9,11,13H,6,10,12H2,1H3,(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide?
N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-8-yl)-1-methyl-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 167848351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).