(E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide

C10H15N3O — CID 110470173

IUPAC(E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C10H15N3O/c1-5-6-9(14)11-10-7(2)12-13(4)8(10)3/h5-6H,1-4H3,(H,11,14)/b6-5+
InChIKeyMLELTMFVUZKRLH-AATRIKPKSA-N
MW193.25 g/mol
LogP1.55
Rot. Bonds2

About (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide

(E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide (PubChem CID 110470173) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide
PubChem CID110470173
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C10H15N3O/c1-5-6-9(14)11-10-7(2)12-13(4)8(10)3/h5-6H,1-4H3,(H,11,14)/b6-5+
InChIKeyMLELTMFVUZKRLH-AATRIKPKSA-N
XLogP1.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 19393377
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342939
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 24655017
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60686676
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 30698931

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide?
The IUPAC name of (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide (CID 110470173) is (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide?
The canonical SMILES for (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide is C/C=C/C(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide?
The InChIKey is MLELTMFVUZKRLH-AATRIKPKSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5-6-9(14)11-10-7(2)12-13(4)8(10)3/h5-6H,1-4H3,(H,11,14)/b6-5+.
What are the key properties of (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide?
(E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide is sourced from PubChem (CID 110470173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).