N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide

C16H17N5O3S — CID 162646023

IUPACN-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCc1cc(C)n(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cc(=O)[nH]2)n1
InChIInChI=1S/C16H17N5O3S/c1-10-8-11(2)21(19-10)16-17-14(9-15(22)18-16)12-4-6-13(7-5-12)20-25(3,23)24/h4-9,20H,1-3H3,(H,17,18,22)
InChIKeySIOIVRQBNSBLBW-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.61
Rot. Bonds4

About N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide

N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide (PubChem CID 162646023) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide
PubChem CID162646023
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide
SMILESCc1cc(C)n(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cc(=O)[nH]2)n1
InChIInChI=1S/C16H17N5O3S/c1-10-8-11(2)21(19-10)16-17-14(9-15(22)18-16)12-4-6-13(7-5-12)20-25(3,23)24/h4-9,20H,1-3H3,(H,17,18,22)
InChIKeySIOIVRQBNSBLBW-UHFFFAOYSA-N
XLogP1.61
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide (CID 162646023) is N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide is Cc1cc(C)n(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cc(=O)[nH]2)n1.
What is the InChIKey of N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide?
The InChIKey is SIOIVRQBNSBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-10-8-11(2)21(19-10)16-17-14(9-15(22)18-16)12-4-6-13(7-5-12)20-25(3,23)24/h4-9,20H,1-3H3,(H,17,18,22).
What are the key properties of N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide?
N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-1H-pyrimidin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 162646023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).