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

C15H13ClN4O2 — CID 4867160

IUPAC3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C15H13ClN4O2/c1-2-22-11-7-4-3-6-10(11)18-15(21)13-12(16)14-17-8-5-9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21)
InChIKeyWPEHHSVKYYMAFT-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.03
Rot. Bonds4

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

3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4867160) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4867160
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C15H13ClN4O2/c1-2-22-11-7-4-3-6-10(11)18-15(21)13-12(16)14-17-8-5-9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21)
InChIKeyWPEHHSVKYYMAFT-UHFFFAOYSA-N
XLogP3.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
CID 1257692
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3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241863
N-(2-ethoxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 54860891
4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid
CID 5253531
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
N-(2-ethoxyphenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127901
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
6-N-(2-chlorophenyl)-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100812
N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4867160) is 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccccc1NC(=O)c1nn2cccnc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WPEHHSVKYYMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-2-22-11-7-4-3-6-10(11)18-15(21)13-12(16)14-17-8-5-9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21).
What are the key properties of 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4867160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).