N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide

C20H21N3O3 — CID 126812157

IUPACN-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
SMILESCc1cc(C)c(-c2cc(NC(=O)c3occ4c3CCOC4)n[nH]2)cc1C
InChIInChI=1S/C20H21N3O3/c1-11-6-13(3)16(7-12(11)2)17-8-18(23-22-17)21-20(24)19-15-4-5-25-9-14(15)10-26-19/h6-8,10H,4-5,9H2,1-3H3,(H2,21,22,23,24)
InChIKeyPFDFBGKQYYOKJI-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.92
Rot. Bonds3

About N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide

N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide (PubChem CID 126812157) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
PubChem CID126812157
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
SMILESCc1cc(C)c(-c2cc(NC(=O)c3occ4c3CCOC4)n[nH]2)cc1C
InChIInChI=1S/C20H21N3O3/c1-11-6-13(3)16(7-12(11)2)17-8-18(23-22-17)21-20(24)19-15-4-5-25-9-14(15)10-26-19/h6-8,10H,4-5,9H2,1-3H3,(H2,21,22,23,24)
InChIKeyPFDFBGKQYYOKJI-UHFFFAOYSA-N
XLogP3.92
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The IUPAC name of N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide (CID 126812157) is N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide.
What is the SMILES notation for N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The canonical SMILES for N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide is Cc1cc(C)c(-c2cc(NC(=O)c3occ4c3CCOC4)n[nH]2)cc1C.
What is the InChIKey of N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The InChIKey is PFDFBGKQYYOKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-11-6-13(3)16(7-12(11)2)17-8-18(23-22-17)21-20(24)19-15-4-5-25-9-14(15)10-26-19/h6-8,10H,4-5,9H2,1-3H3,(H2,21,22,23,24).
What are the key properties of N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4,5-trimethylphenyl)-1H-pyrazol-3-yl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide is sourced from PubChem (CID 126812157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).