N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H11ClN6O3S — CID 145153069

IUPACN-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cc(S(N)=O)c(Cl)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C14H11ClN6O3S/c15-9-5-10(7(12(16)22)4-11(9)25(17)24)20-14(23)8-6-19-21-3-1-2-18-13(8)21/h1-6H,17H2,(H2,16,22)(H,20,23)
InChIKeyWQTSFMBPKWYPFR-UHFFFAOYSA-N
MW378.80 g/mol
LogP0.72
Rot. Bonds4

About N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145153069) has the molecular formula C14H11ClN6O3S and a molecular weight of 378.80 g/mol. Its IUPAC name is N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145153069
Molecular FormulaC14H11ClN6O3S
Molecular Weight378.80 g/mol
Exact Mass378.03
IUPAC NameN-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cc(S(N)=O)c(Cl)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C14H11ClN6O3S/c15-9-5-10(7(12(16)22)4-11(9)25(17)24)20-14(23)8-6-19-21-3-1-2-18-13(8)21/h1-6H,17H2,(H2,16,22)(H,20,23)
InChIKeyWQTSFMBPKWYPFR-UHFFFAOYSA-N
XLogP0.72
TPSA145.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.80
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145153069) is N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cc(S(N)=O)c(Cl)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WQTSFMBPKWYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O3S/c15-9-5-10(7(12(16)22)4-11(9)25(17)24)20-14(23)8-6-19-21-3-1-2-18-13(8)21/h1-6H,17H2,(H2,16,22)(H,20,23).
What are the key properties of N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.80 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145153069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).