(E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine

C23H32N6O — CID 155773325

IUPAC(E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine
SMILESCCOc1ncccc1/C=C/C(NCc1ccn(C)n1)=C1\CC(C)=NN1C(C)CC
InChIInChI=1S/C23H32N6O/c1-6-18(4)29-22(15-17(3)26-29)21(25-16-20-12-14-28(5)27-20)11-10-19-9-8-13-24-23(19)30-7-2/h8-14,18,25H,6-7,15-16H2,1-5H3/b11-10+,22-21-
InChIKeyWUVAZFJCZQZLEV-ABZBQOJRSA-N
MW408.55 g/mol
LogP4.11
Rot. Bonds9

About (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine

(E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 155773325) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine
PubChem CID155773325
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name(E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine
SMILESCCOc1ncccc1/C=C/C(NCc1ccn(C)n1)=C1\CC(C)=NN1C(C)CC
InChIInChI=1S/C23H32N6O/c1-6-18(4)29-22(15-17(3)26-29)21(25-16-20-12-14-28(5)27-20)11-10-19-9-8-13-24-23(19)30-7-2/h8-14,18,25H,6-7,15-16H2,1-5H3/b11-10+,22-21-
InChIKeyWUVAZFJCZQZLEV-ABZBQOJRSA-N
XLogP4.11
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine (CID 155773325) is (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine is CCOc1ncccc1/C=C/C(NCc1ccn(C)n1)=C1\CC(C)=NN1C(C)CC.
What is the InChIKey of (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is WUVAZFJCZQZLEV-ABZBQOJRSA-N. The full InChI is InChI=1S/C23H32N6O/c1-6-18(4)29-22(15-17(3)26-29)21(25-16-20-12-14-28(5)27-20)11-10-19-9-8-13-24-23(19)30-7-2/h8-14,18,25H,6-7,15-16H2,1-5H3/b11-10+,22-21-.
What are the key properties of (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine?
(E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 408.55 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1Z)-1-(2-butan-2-yl-5-methyl-4H-pyrazol-3-ylidene)-3-(2-ethoxy-3-pyridinyl)-N-[(1-methylpyrazol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 155773325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).