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

C15H13N5O3 — CID 56646141

IUPACN-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(N)=O)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C15H13N5O3/c1-23-12-7-9(13(16)21)3-4-11(12)19-15(22)10-8-18-20-6-2-5-17-14(10)20/h2-8H,1H3,(H2,16,21)(H,19,22)
InChIKeyHBMYSFSEOGRRJA-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.09
Rot. Bonds4

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

N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56646141) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56646141
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(N)=O)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C15H13N5O3/c1-23-12-7-9(13(16)21)3-4-11(12)19-15(22)10-8-18-20-6-2-5-17-14(10)20/h2-8H,1H3,(H2,16,21)(H,19,22)
InChIKeyHBMYSFSEOGRRJA-UHFFFAOYSA-N
XLogP1.09
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56646141) is N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C(N)=O)ccc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HBMYSFSEOGRRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-23-12-7-9(13(16)21)3-4-11(12)19-15(22)10-8-18-20-6-2-5-17-14(10)20/h2-8H,1H3,(H2,16,21)(H,19,22).
What are the key properties of N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56646141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).