3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide

C14H15ClN6O2S — CID 167949270

IUPAC3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCc1nn2cc(S(=O)(=O)Nc3cc(C)n(C4CC4)n3)cnc2c1Cl
InChIInChI=1S/C14H15ClN6O2S/c1-8-5-12(18-21(8)10-3-4-10)19-24(22,23)11-6-16-14-13(15)9(2)17-20(14)7-11/h5-7,10H,3-4H2,1-2H3,(H,18,19)
InChIKeyPFGNWVBPOISODD-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.33
Rot. Bonds4

About 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide

3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide (PubChem CID 167949270) has the molecular formula C14H15ClN6O2S and a molecular weight of 366.83 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
PubChem CID167949270
Molecular FormulaC14H15ClN6O2S
Molecular Weight366.83 g/mol
Exact Mass366.07
IUPAC Name3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCc1nn2cc(S(=O)(=O)Nc3cc(C)n(C4CC4)n3)cnc2c1Cl
InChIInChI=1S/C14H15ClN6O2S/c1-8-5-12(18-21(8)10-3-4-10)19-24(22,23)11-6-16-14-13(15)9(2)17-20(14)7-11/h5-7,10H,3-4H2,1-2H3,(H,18,19)
InChIKeyPFGNWVBPOISODD-UHFFFAOYSA-N
XLogP2.33
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The IUPAC name of 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide (CID 167949270) is 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide is Cc1nn2cc(S(=O)(=O)Nc3cc(C)n(C4CC4)n3)cnc2c1Cl.
What is the InChIKey of 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The InChIKey is PFGNWVBPOISODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O2S/c1-8-5-12(18-21(8)10-3-4-10)19-24(22,23)11-6-16-14-13(15)9(2)17-20(14)7-11/h5-7,10H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide has a molecular weight of 366.83 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 167949270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).