2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H18N4O3S — CID 119050637

IUPAC2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCC1(S(C)(=O)=O)CCC1
InChIInChI=1S/C14H18N4O3S/c1-10-11(12-15-7-4-8-18(12)17-10)13(19)16-9-14(5-3-6-14)22(2,20)21/h4,7-8H,3,5-6,9H2,1-2H3,(H,16,19)
InChIKeyQEUFUGODCBWODJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.73
Rot. Bonds4

About 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 119050637) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID119050637
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCC1(S(C)(=O)=O)CCC1
InChIInChI=1S/C14H18N4O3S/c1-10-11(12-15-7-4-8-18(12)17-10)13(19)16-9-14(5-3-6-14)22(2,20)21/h4,7-8H,3,5-6,9H2,1-2H3,(H,16,19)
InChIKeyQEUFUGODCBWODJ-UHFFFAOYSA-N
XLogP0.73
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 119050637) is 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NCC1(S(C)(=O)=O)CCC1.
What is the InChIKey of 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QEUFUGODCBWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-11(12-15-7-4-8-18(12)17-10)13(19)16-9-14(5-3-6-14)22(2,20)21/h4,7-8H,3,5-6,9H2,1-2H3,(H,16,19).
What are the key properties of 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylsulfonylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119050637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).