N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide

C15H13N5O3S — CID 70113745

IUPACN-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1[nH]nc(-c2ncccn2)c1-c1ccccc1
InChIInChI=1S/C15H13N5O3S/c1-24(22,23)20-15(21)13-11(10-6-3-2-4-7-10)12(18-19-13)14-16-8-5-9-17-14/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyRSJGEQPIDYDUQV-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.22
Rot. Bonds4

About N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide

N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 70113745) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID70113745
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC NameN-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1[nH]nc(-c2ncccn2)c1-c1ccccc1
InChIInChI=1S/C15H13N5O3S/c1-24(22,23)20-15(21)13-11(10-6-3-2-4-7-10)12(18-19-13)14-16-8-5-9-17-14/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyRSJGEQPIDYDUQV-UHFFFAOYSA-N
XLogP1.22
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide (CID 70113745) is N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide is CS(=O)(=O)NC(=O)c1[nH]nc(-c2ncccn2)c1-c1ccccc1.
What is the InChIKey of N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is RSJGEQPIDYDUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c1-24(22,23)20-15(21)13-11(10-6-3-2-4-7-10)12(18-19-13)14-16-8-5-9-17-14/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide?
N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-phenyl-3-pyrimidin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70113745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).