3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H18ClN5O3S — CID 77094996

IUPAC3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCCS(=O)(=O)N3CCCC3)nn2c1
InChIInChI=1S/C14H18ClN5O3S/c1-10-8-17-13-11(15)12(18-20(13)9-10)14(21)16-4-7-24(22,23)19-5-2-3-6-19/h8-9H,2-7H2,1H3,(H,16,21)
InChIKeyWLVIXVMFQJHKRJ-UHFFFAOYSA-N
MW371.85 g/mol
LogP0.85
Rot. Bonds5

About 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77094996) has the molecular formula C14H18ClN5O3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77094996
Molecular FormulaC14H18ClN5O3S
Molecular Weight371.85 g/mol
Exact Mass371.08
IUPAC Name3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCCS(=O)(=O)N3CCCC3)nn2c1
InChIInChI=1S/C14H18ClN5O3S/c1-10-8-17-13-11(15)12(18-20(13)9-10)14(21)16-4-7-24(22,23)19-5-2-3-6-19/h8-9H,2-7H2,1H3,(H,16,21)
InChIKeyWLVIXVMFQJHKRJ-UHFFFAOYSA-N
XLogP0.85
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 77094996) is 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)NCCS(=O)(=O)N3CCCC3)nn2c1.
What is the InChIKey of 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WLVIXVMFQJHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3S/c1-10-8-17-13-11(15)12(18-20(13)9-10)14(21)16-4-7-24(22,23)19-5-2-3-6-19/h8-9H,2-7H2,1H3,(H,16,21).
What are the key properties of 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77094996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).