(2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide

C16H24N6O2 — CID 88932097

IUPAC(2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide
SMILESCNC(=O)Nc1cc2n(n1)CCN2/C(C)=C/C=C(\C)C(=O)N(C)C
InChIInChI=1S/C16H24N6O2/c1-11(15(23)20(4)5)6-7-12(2)21-8-9-22-14(21)10-13(19-22)18-16(24)17-3/h6-7,10H,8-9H2,1-5H3,(H2,17,18,19,24)/b11-6+,12-7+
InChIKeyFWTCDTVPEPDPCY-GNXRPPCSSA-N
MW332.41 g/mol
LogP1.39
Rot. Bonds4

About (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide

(2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide (PubChem CID 88932097) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide
PubChem CID88932097
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide
SMILESCNC(=O)Nc1cc2n(n1)CCN2/C(C)=C/C=C(\C)C(=O)N(C)C
InChIInChI=1S/C16H24N6O2/c1-11(15(23)20(4)5)6-7-12(2)21-8-9-22-14(21)10-13(19-22)18-16(24)17-3/h6-7,10H,8-9H2,1-5H3,(H2,17,18,19,24)/b11-6+,12-7+
InChIKeyFWTCDTVPEPDPCY-GNXRPPCSSA-N
XLogP1.39
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide (CID 88932097) is (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide is CNC(=O)Nc1cc2n(n1)CCN2/C(C)=C/C=C(\C)C(=O)N(C)C.
What is the InChIKey of (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide?
The InChIKey is FWTCDTVPEPDPCY-GNXRPPCSSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11(15(23)20(4)5)6-7-12(2)21-8-9-22-14(21)10-13(19-22)18-16(24)17-3/h6-7,10H,8-9H2,1-5H3,(H2,17,18,19,24)/b11-6+,12-7+.
What are the key properties of (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide?
(2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide has a molecular weight of 332.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N,2-trimethyl-5-[6-(methylcarbamoylamino)-2,3-dihydroimidazo[2,1-e]pyrazol-1-yl]hexa-2,4-dienamide is sourced from PubChem (CID 88932097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).