(E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid

C11H16N2O2 — CID 112721875

IUPAC(E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid
SMILESC/C(=C\CC(=O)O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H16N2O2/c1-7(5-6-10(14)15)11-8(2)12-13(4)9(11)3/h5H,6H2,1-4H3,(H,14,15)/b7-5+
InChIKeyLOFCRLRHPNQHMI-FNORWQNLSA-N
MW208.26 g/mol
LogP1.91
Rot. Bonds3

About (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid

(E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid (PubChem CID 112721875) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid
PubChem CID112721875
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid
SMILESC/C(=C\CC(=O)O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H16N2O2/c1-7(5-6-10(14)15)11-8(2)12-13(4)9(11)3/h5H,6H2,1-4H3,(H,14,15)/b7-5+
InChIKeyLOFCRLRHPNQHMI-FNORWQNLSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one
CID 103970874
ethyl 5-(1,3,5-trimethylpyrazol-4-yl)hexa-2,4-dienoate
CID 114193780
(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-ol
CID 103971270
(E)-3-(1,3,5-trimethylpyrazol-4-yl)hex-2-enoic acid
CID 112721876
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-1-one
CID 105104374
2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
CID 60825576
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
CID 105091756
4-[(1E)-1-fluorobuta-1,3-dienyl]-1,3,5-trimethylpyrazole
CID 143740724
1,3,5-trimethyl-N-(2,2,2-trifluoroethoxy)pyrazole-4-carboxamide
CID 81339753

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid?
The IUPAC name of (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid (CID 112721875) is (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid.
What is the SMILES notation for (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid?
The canonical SMILES for (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid is C/C(=C\CC(=O)O)c1c(C)nn(C)c1C.
What is the InChIKey of (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid?
The InChIKey is LOFCRLRHPNQHMI-FNORWQNLSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(5-6-10(14)15)11-8(2)12-13(4)9(11)3/h5H,6H2,1-4H3,(H,14,15)/b7-5+.
What are the key properties of (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid?
(E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid is sourced from PubChem (CID 112721875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).