(E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine

C22H32N8O — CID 155773334

IUPAC(E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine
SMILESCCCOc1ncccc1C/C=C(/NCc1nnn(C)n1)c1cc(C)nn1C(C)CC
InChIInChI=1S/C22H32N8O/c1-6-13-31-22-18(9-8-12-23-22)10-11-19(24-15-21-25-28-29(5)27-21)20-14-16(3)26-30(20)17(4)7-2/h8-9,11-12,14,17,24H,6-7,10,13,15H2,1-5H3/b19-11+
InChIKeyGHHGVGRPPLMROZ-YBFXNURJSA-N
MW424.55 g/mol
LogP3.24
Rot. Bonds11

About (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine

(E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine (PubChem CID 155773334) has the molecular formula C22H32N8O and a molecular weight of 424.55 g/mol. Its IUPAC name is (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine
PubChem CID155773334
Molecular FormulaC22H32N8O
Molecular Weight424.55 g/mol
Exact Mass424.27
IUPAC Name(E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine
SMILESCCCOc1ncccc1C/C=C(/NCc1nnn(C)n1)c1cc(C)nn1C(C)CC
InChIInChI=1S/C22H32N8O/c1-6-13-31-22-18(9-8-12-23-22)10-11-19(24-15-21-25-28-29(5)27-21)20-14-16(3)26-30(20)17(4)7-2/h8-9,11-12,14,17,24H,6-7,10,13,15H2,1-5H3/b19-11+
InChIKeyGHHGVGRPPLMROZ-YBFXNURJSA-N
XLogP3.24
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine?
The IUPAC name of (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine (CID 155773334) is (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine?
The canonical SMILES for (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine is CCCOc1ncccc1C/C=C(/NCc1nnn(C)n1)c1cc(C)nn1C(C)CC.
What is the InChIKey of (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine?
The InChIKey is GHHGVGRPPLMROZ-YBFXNURJSA-N. The full InChI is InChI=1S/C22H32N8O/c1-6-13-31-22-18(9-8-12-23-22)10-11-19(24-15-21-25-28-29(5)27-21)20-14-16(3)26-30(20)17(4)7-2/h8-9,11-12,14,17,24H,6-7,10,13,15H2,1-5H3/b19-11+.
What are the key properties of (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine?
(E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine has a molecular weight of 424.55 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-butan-2-yl-5-methylpyrazol-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]-3-(2-propoxy-3-pyridinyl)prop-1-en-1-amine is sourced from PubChem (CID 155773334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).