N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide

C19H21N3O4 — CID 75796720

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
SMILESCC(C)Oc1ccc2c(C(=O)NC(C)c3cnn(C)c3)cc(=O)oc2c1
InChIInChI=1S/C19H21N3O4/c1-11(2)25-14-5-6-15-16(8-18(23)26-17(15)7-14)19(24)21-12(3)13-9-20-22(4)10-13/h5-12H,1-4H3,(H,21,24)
InChIKeyCTNISWFOLNQGNX-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide

N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide (PubChem CID 75796720) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
PubChem CID75796720
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
SMILESCC(C)Oc1ccc2c(C(=O)NC(C)c3cnn(C)c3)cc(=O)oc2c1
InChIInChI=1S/C19H21N3O4/c1-11(2)25-14-5-6-15-16(8-18(23)26-17(15)7-14)19(24)21-12(3)13-9-20-22(4)10-13/h5-12H,1-4H3,(H,21,24)
InChIKeyCTNISWFOLNQGNX-UHFFFAOYSA-N
XLogP2.80
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide (CID 75796720) is N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide is CC(C)Oc1ccc2c(C(=O)NC(C)c3cnn(C)c3)cc(=O)oc2c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide?
The InChIKey is CTNISWFOLNQGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11(2)25-14-5-6-15-16(8-18(23)26-17(15)7-14)19(24)21-12(3)13-9-20-22(4)10-13/h5-12H,1-4H3,(H,21,24).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide?
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide is sourced from PubChem (CID 75796720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).