N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide

C16H19N5O3S — CID 131939149

IUPACN-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2cc(-c3ccccn3)no2)cn1
InChIInChI=1S/C16H19N5O3S/c1-3-8-21-12-14(10-18-21)25(22,23)20(2)11-13-9-16(19-24-13)15-6-4-5-7-17-15/h4-7,9-10,12H,3,8,11H2,1-2H3
InChIKeyQWGPMQXQDOIDHY-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.16
Rot. Bonds7

About N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide

N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 131939149) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
PubChem CID131939149
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2cc(-c3ccccn3)no2)cn1
InChIInChI=1S/C16H19N5O3S/c1-3-8-21-12-14(10-18-21)25(22,23)20(2)11-13-9-16(19-24-13)15-6-4-5-7-17-15/h4-7,9-10,12H,3,8,11H2,1-2H3
InChIKeyQWGPMQXQDOIDHY-UHFFFAOYSA-N
XLogP2.16
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide (CID 131939149) is N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)Cc2cc(-c3ccccn3)no2)cn1.
What is the InChIKey of N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is QWGPMQXQDOIDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-3-8-21-12-14(10-18-21)25(22,23)20(2)11-13-9-16(19-24-13)15-6-4-5-7-17-15/h4-7,9-10,12H,3,8,11H2,1-2H3.
What are the key properties of N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide?
N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 361.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 131939149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).