2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C15H20N4O3S — CID 164641977

IUPAC2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)n2nc(C)cc2n1
InChIInChI=1S/C15H20N4O3S/c1-9-7-12(19-13(16-9)8-10(2)18-19)14(20)17-11(3)15(5-6-15)23(4,21)22/h7-8,11H,5-6H2,1-4H3,(H,17,20)/t11-/m0/s1
InChIKeyNNCIDTBEWFDYPX-NSHDSACASA-N
MW336.42 g/mol
LogP1.04
Rot. Bonds4

About 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 164641977) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID164641977
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)n2nc(C)cc2n1
InChIInChI=1S/C15H20N4O3S/c1-9-7-12(19-13(16-9)8-10(2)18-19)14(20)17-11(3)15(5-6-15)23(4,21)22/h7-8,11H,5-6H2,1-4H3,(H,17,20)/t11-/m0/s1
InChIKeyNNCIDTBEWFDYPX-NSHDSACASA-N
XLogP1.04
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 164641977) is 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is NNCIDTBEWFDYPX-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9-7-12(19-13(16-9)8-10(2)18-19)14(20)17-11(3)15(5-6-15)23(4,21)22/h7-8,11H,5-6H2,1-4H3,(H,17,20)/t11-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 164641977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).