N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H19ClN4O3 — CID 50751519

IUPACN-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2ccnc3cc(C(=O)Nc4cc(Cl)ccc4C)nn23)cc1OC
InChIInChI=1S/C22H19ClN4O3/c1-13-4-6-15(23)11-16(13)25-22(28)17-12-21-24-9-8-18(27(21)26-17)14-5-7-19(29-2)20(10-14)30-3/h4-12H,1-3H3,(H,25,28)
InChIKeyMXPXRPDKZMHYIX-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.63
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 50751519) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID50751519
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC NameN-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2ccnc3cc(C(=O)Nc4cc(Cl)ccc4C)nn23)cc1OC
InChIInChI=1S/C22H19ClN4O3/c1-13-4-6-15(23)11-16(13)25-22(28)17-12-21-24-9-8-18(27(21)26-17)14-5-7-19(29-2)20(10-14)30-3/h4-12H,1-3H3,(H,25,28)
InChIKeyMXPXRPDKZMHYIX-UHFFFAOYSA-N
XLogP4.63
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 50751543
7-(3,4-dimethoxyphenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400667
3-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoic acid
CID 167035775
methyl 3-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate
CID 167400639
N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264400
N-[4-[butyl(propyl)carbamoyl]-2-methylphenyl]-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane
CID 163264399
4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 167400752
ethyl 2-[[4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoyl]amino]acetate
CID 163264240
7-(3,4-dimethoxyphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264955
methyl (2S)-2-[[4-[[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoyl]amino]-3-methylbutanoate
CID 167400714
7-(3,4-dimethoxyphenyl)-N-[3-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167401013
7-(3,4-dimethoxyphenyl)-N-[6-(morpholine-4-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400762

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 50751519) is N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2ccnc3cc(C(=O)Nc4cc(Cl)ccc4C)nn23)cc1OC.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MXPXRPDKZMHYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-13-4-6-15(23)11-16(13)25-22(28)17-12-21-24-9-8-18(27(21)26-17)14-5-7-19(29-2)20(10-14)30-3/h4-12H,1-3H3,(H,25,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 50751519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).