6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H19N3O2 — CID 44571599

IUPAC6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C20H19N3O2/c1-13-2-7-19-15(8-13)9-16(12-25-19)20(24)23-18-5-3-14(4-6-18)17-10-21-22-11-17/h2-8,10-11,16H,9,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyYTTPBZOWLZFAGN-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.57
Rot. Bonds3

About 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 44571599) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID44571599
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C20H19N3O2/c1-13-2-7-19-15(8-13)9-16(12-25-19)20(24)23-18-5-3-14(4-6-18)17-10-21-22-11-17/h2-8,10-11,16H,9,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyYTTPBZOWLZFAGN-UHFFFAOYSA-N
XLogP3.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 44571599) is 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2.
What is the InChIKey of 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is YTTPBZOWLZFAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-2-7-19-15(8-13)9-16(12-25-19)20(24)23-18-5-3-14(4-6-18)17-10-21-22-11-17/h2-8,10-11,16H,9,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 44571599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).