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

C17H17N5O4 — CID 66664958

IUPACN-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCO)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H17N5O4/c1-26-14-9-11(16(24)19-6-8-23)3-4-13(14)21-17(25)12-10-20-22-7-2-5-18-15(12)22/h2-5,7,9-10,23H,6,8H2,1H3,(H,19,24)(H,21,25)
InChIKeyCPXIYNPTQDULPI-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.71
Rot. Bonds6

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

N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66664958) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66664958
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCO)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H17N5O4/c1-26-14-9-11(16(24)19-6-8-23)3-4-13(14)21-17(25)12-10-20-22-7-2-5-18-15(12)22/h2-5,7,9-10,23H,6,8H2,1H3,(H,19,24)(H,21,25)
InChIKeyCPXIYNPTQDULPI-UHFFFAOYSA-N
XLogP0.71
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66664958) is N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C(=O)NCCO)ccc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CPXIYNPTQDULPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-26-14-9-11(16(24)19-6-8-23)3-4-13(14)21-17(25)12-10-20-22-7-2-5-18-15(12)22/h2-5,7,9-10,23H,6,8H2,1H3,(H,19,24)(H,21,25).
What are the key properties of N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66664958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).