(1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine

C12H19N3 — CID 167024236

IUPAC(1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine
SMILESC=C/C=c1\c(=C(/C)N)c(C)nn1C(C)C
InChIInChI=1S/C12H19N3/c1-6-7-11-12(9(4)13)10(5)14-15(11)8(2)3/h6-8H,1,13H2,2-5H3/b11-7+,12-9+
InChIKeyITEWKRUMXXWUNB-HNWKWBPYSA-N
MW205.30 g/mol
LogP0.83
Rot. Bonds2

About (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine

(1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine (PubChem CID 167024236) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine.

Molecular Properties

Compound Name(1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine
PubChem CID167024236
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine
SMILESC=C/C=c1\c(=C(/C)N)c(C)nn1C(C)C
InChIInChI=1S/C12H19N3/c1-6-7-11-12(9(4)13)10(5)14-15(11)8(2)3/h6-8H,1,13H2,2-5H3/b11-7+,12-9+
InChIKeyITEWKRUMXXWUNB-HNWKWBPYSA-N
XLogP0.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine?
The IUPAC name of (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine (CID 167024236) is (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine.
What is the SMILES notation for (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine?
The canonical SMILES for (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine is C=C/C=c1\c(=C(/C)N)c(C)nn1C(C)C.
What is the InChIKey of (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine?
The InChIKey is ITEWKRUMXXWUNB-HNWKWBPYSA-N. The full InChI is InChI=1S/C12H19N3/c1-6-7-11-12(9(4)13)10(5)14-15(11)8(2)3/h6-8H,1,13H2,2-5H3/b11-7+,12-9+.
What are the key properties of (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine?
(1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(5E)-3-methyl-1-propan-2-yl-5-prop-2-enylidenepyrazol-4-ylidene]ethanamine is sourced from PubChem (CID 167024236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).