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

C17H17N5O3 — CID 58056271

IUPACN-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H17N5O3/c1-21(2)17(24)11-5-6-13(14(9-11)25-3)20-16(23)12-10-19-22-8-4-7-18-15(12)22/h4-10H,1-3H3,(H,20,23)
InChIKeyUNEFFUCMRNHAOW-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.69
Rot. Bonds4

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

N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056271) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056271
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C17H17N5O3/c1-21(2)17(24)11-5-6-13(14(9-11)25-3)20-16(23)12-10-19-22-8-4-7-18-15(12)22/h4-10H,1-3H3,(H,20,23)
InChIKeyUNEFFUCMRNHAOW-UHFFFAOYSA-N
XLogP1.69
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056271) is N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UNEFFUCMRNHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-21(2)17(24)11-5-6-13(14(9-11)25-3)20-16(23)12-10-19-22-8-4-7-18-15(12)22/h4-10H,1-3H3,(H,20,23).
What are the key properties of N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).