2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide

C25H25N3O4 — CID 75796736

IUPAC2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide
SMILESCCC(c1ccccc1)n1nccc1NC(=O)c1cc(=O)oc2cc(OC(C)C)ccc12
InChIInChI=1S/C25H25N3O4/c1-4-21(17-8-6-5-7-9-17)28-23(12-13-26-28)27-25(30)20-15-24(29)32-22-14-18(31-16(2)3)10-11-19(20)22/h5-16,21H,4H2,1-3H3,(H,27,30)
InChIKeyODVNNNAZNJJVRQ-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.03
Rot. Bonds7

About 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide

2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide (PubChem CID 75796736) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide
PubChem CID75796736
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide
SMILESCCC(c1ccccc1)n1nccc1NC(=O)c1cc(=O)oc2cc(OC(C)C)ccc12
InChIInChI=1S/C25H25N3O4/c1-4-21(17-8-6-5-7-9-17)28-23(12-13-26-28)27-25(30)20-15-24(29)32-22-14-18(31-16(2)3)10-11-19(20)22/h5-16,21H,4H2,1-3H3,(H,27,30)
InChIKeyODVNNNAZNJJVRQ-UHFFFAOYSA-N
XLogP5.03
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
CID 75796720
N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
CID 75796722
4-hydroxy-3-(1-phenylpropyl)-7-propan-2-yloxychromen-2-one
CID 54728306
4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
CID 983535
4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
CID 907685
ethyl (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetate
CID 2277249
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
propan-2-yl 2-(2-oxo-4-phenylchromen-7-yl)oxybutanoate
CID 23878292
7-benzhydryloxy-4-methylchromen-2-one
CID 59603173
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide?
The IUPAC name of 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide (CID 75796736) is 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide is CCC(c1ccccc1)n1nccc1NC(=O)c1cc(=O)oc2cc(OC(C)C)ccc12.
What is the InChIKey of 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide?
The InChIKey is ODVNNNAZNJJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-4-21(17-8-6-5-7-9-17)28-23(12-13-26-28)27-25(30)20-15-24(29)32-22-14-18(31-16(2)3)10-11-19(20)22/h5-16,21H,4H2,1-3H3,(H,27,30).
What are the key properties of 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide?
2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(1-phenylpropyl)pyrazol-3-yl]-7-propan-2-yloxychromene-4-carboxamide is sourced from PubChem (CID 75796736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).