N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H15ClN4O2 — CID 53040785

IUPACN-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)nc2ccnn12
InChIInChI=1S/C16H15ClN4O2/c1-3-11-9-13(20-15-6-7-18-21(11)15)16(22)19-10-4-5-14(23-2)12(17)8-10/h4-9H,3H2,1-2H3,(H,19,22)
InChIKeyVRVRRLNWNFFFOR-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.21
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040785) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040785
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)nc2ccnn12
InChIInChI=1S/C16H15ClN4O2/c1-3-11-9-13(20-15-6-7-18-21(11)15)16(22)19-10-4-5-14(23-2)12(17)8-10/h4-9H,3H2,1-2H3,(H,19,22)
InChIKeyVRVRRLNWNFFFOR-UHFFFAOYSA-N
XLogP3.21
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040785) is N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)nc2ccnn12.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is VRVRRLNWNFFFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-3-11-9-13(20-15-6-7-18-21(11)15)16(22)19-10-4-5-14(23-2)12(17)8-10/h4-9H,3H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).