N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide

C17H15N5O3S — CID 66872700

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cccc(S(=O)(=O)c2ncccn2)c1
InChIInChI=1S/C17H15N5O3S/c23-16(20-15-10-14(21-22-15)11-5-6-11)12-3-1-4-13(9-12)26(24,25)17-18-7-2-8-19-17/h1-4,7-11H,5-6H2,(H2,20,21,22,23)
InChIKeyLUVBJTSGAFOAMZ-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.16
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide (PubChem CID 66872700) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide
PubChem CID66872700
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1cccc(S(=O)(=O)c2ncccn2)c1
InChIInChI=1S/C17H15N5O3S/c23-16(20-15-10-14(21-22-15)11-5-6-11)12-3-1-4-13(9-12)26(24,25)17-18-7-2-8-19-17/h1-4,7-11H,5-6H2,(H2,20,21,22,23)
InChIKeyLUVBJTSGAFOAMZ-UHFFFAOYSA-N
XLogP2.16
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 102492957
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
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N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide (CID 66872700) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide is O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(S(=O)(=O)c2ncccn2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide?
The InChIKey is LUVBJTSGAFOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c23-16(20-15-10-14(21-22-15)11-5-6-11)12-3-1-4-13(9-12)26(24,25)17-18-7-2-8-19-17/h1-4,7-11H,5-6H2,(H2,20,21,22,23).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide has a molecular weight of 369.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-pyrimidin-2-ylsulfonylbenzamide is sourced from PubChem (CID 66872700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).