N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide

C21H18N4O3 — CID 17373641

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H18N4O3/c1-13-18(21(27)25(24(13)2)15-9-4-3-5-10-15)23-20(26)16-12-14-8-6-7-11-17(14)28-19(16)22/h3-12,22H,1-2H3,(H,23,26)/b22-19-
InChIKeyVOOGKUPNJPFXHE-QOCHGBHMSA-N
MW374.40 g/mol
LogP2.96
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide (PubChem CID 17373641) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
PubChem CID17373641
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H18N4O3/c1-13-18(21(27)25(24(13)2)15-9-4-3-5-10-15)23-20(26)16-12-14-8-6-7-11-17(14)28-19(16)22/h3-12,22H,1-2H3,(H,23,26)/b22-19-
InChIKeyVOOGKUPNJPFXHE-QOCHGBHMSA-N
XLogP2.96
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide (CID 17373641) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccccc2cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide?
The InChIKey is VOOGKUPNJPFXHE-QOCHGBHMSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-18(21(27)25(24(13)2)15-9-4-3-5-10-15)23-20(26)16-12-14-8-6-7-11-17(14)28-19(16)22/h3-12,22H,1-2H3,(H,23,26)/b22-19-.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 17373641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).