(E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide

C13H16N6O2S — CID 58169227

IUPAC(E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide
SMILESNS(=O)(=O)C/C=C/c1nccc(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C13H16N6O2S/c14-22(20,21)7-1-2-11-15-6-5-12(16-11)17-13-8-10(18-19-13)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H2,14,20,21)(H2,15,16,17,18,19)/b2-1+
InChIKeyDHWLPIZKGPVMOP-OWOJBTEDSA-N
MW320.38 g/mol
LogP1.12
Rot. Bonds6

About (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide

(E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide (PubChem CID 58169227) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide
PubChem CID58169227
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name(E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide
SMILESNS(=O)(=O)C/C=C/c1nccc(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C13H16N6O2S/c14-22(20,21)7-1-2-11-15-6-5-12(16-11)17-13-8-10(18-19-13)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H2,14,20,21)(H2,15,16,17,18,19)/b2-1+
InChIKeyDHWLPIZKGPVMOP-OWOJBTEDSA-N
XLogP1.12
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide?
The IUPAC name of (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide (CID 58169227) is (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide?
The canonical SMILES for (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide is NS(=O)(=O)C/C=C/c1nccc(Nc2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide?
The InChIKey is DHWLPIZKGPVMOP-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H16N6O2S/c14-22(20,21)7-1-2-11-15-6-5-12(16-11)17-13-8-10(18-19-13)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H2,14,20,21)(H2,15,16,17,18,19)/b2-1+.
What are the key properties of (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide?
(E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide has a molecular weight of 320.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 58169227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).