[7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone

C19H18N4O2S — CID 139232792

IUPAC[7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone
SMILES[H]/N=c1\c2cc3ccc(N(CC)CC)cc3oc-2nn1C(=O)c1cccs1
InChIInChI=1S/C19H18N4O2S/c1-3-22(4-2)13-8-7-12-10-14-17(20)23(19(24)16-6-5-9-26-16)21-18(14)25-15(12)11-13/h5-11,20H,3-4H2,1-2H3/b20-17+
InChIKeyZHMKISXWFHZEQO-LVZFUZTISA-N
MW366.45 g/mol
LogP3.81
Rot. Bonds4

About [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone

[7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone (PubChem CID 139232792) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone
PubChem CID139232792
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name[7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone
SMILES[H]/N=c1\c2cc3ccc(N(CC)CC)cc3oc-2nn1C(=O)c1cccs1
InChIInChI=1S/C19H18N4O2S/c1-3-22(4-2)13-8-7-12-10-14-17(20)23(19(24)16-6-5-9-26-16)21-18(14)25-15(12)11-13/h5-11,20H,3-4H2,1-2H3/b20-17+
InChIKeyZHMKISXWFHZEQO-LVZFUZTISA-N
XLogP3.81
TPSA75.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone (CID 139232792) is [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone is [H]/N=c1\c2cc3ccc(N(CC)CC)cc3oc-2nn1C(=O)c1cccs1.
What is the InChIKey of [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone?
The InChIKey is ZHMKISXWFHZEQO-LVZFUZTISA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-3-22(4-2)13-8-7-12-10-14-17(20)23(19(24)16-6-5-9-26-16)21-18(14)25-15(12)11-13/h5-11,20H,3-4H2,1-2H3/b20-17+.
What are the key properties of [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone?
[7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone has a molecular weight of 366.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethylamino)-3-iminochromeno[2,3-c]pyrazol-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 139232792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).