(E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

C13H17N5O3S — CID 75407110

IUPAC(E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H17N5O3S/c1-9-12(10(2)18(4)15-9)5-6-13(19)16-22(20,21)11-7-14-17(3)8-11/h5-8H,1-4H3,(H,16,19)/b6-5+
InChIKeyDGROGABUNXNMQV-AATRIKPKSA-N
MW323.38 g/mol
LogP0.29
Rot. Bonds4

About (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

(E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 75407110) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID75407110
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name(E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C13H17N5O3S/c1-9-12(10(2)18(4)15-9)5-6-13(19)16-22(20,21)11-7-14-17(3)8-11/h5-8H,1-4H3,(H,16,19)/b6-5+
InChIKeyDGROGABUNXNMQV-AATRIKPKSA-N
XLogP0.29
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide
CID 97377835
N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 76941637
2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]acetic acid
CID 43354360
(E)-3-(1-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 19393377
N-(3-hydroxycyclobutyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77104868
N-(1,3-dihydroxypropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77064785
(2R)-2-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoylamino]propanoic acid
CID 78972942
(E)-N-(1-hydroxypropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 43419193
3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanoic acid
CID 43170625
N-[(2-hydroxycyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77050229
methyl 2-hydroxy-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanoate
CID 103957878
(E)-1-(3,4-dihydroxypyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 106671386

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 75407110) is (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is Cc1nn(C)c(C)c1/C=C/C(=O)NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is DGROGABUNXNMQV-AATRIKPKSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-9-12(10(2)18(4)15-9)5-6-13(19)16-22(20,21)11-7-14-17(3)8-11/h5-8H,1-4H3,(H,16,19)/b6-5+.
What are the key properties of (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
(E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 323.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 75407110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).