7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H26N4O3 — CID 42855278

IUPAC7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn2c(-c3ccc(OC)c(OC)c3)ccnc12
InChIInChI=1S/C21H26N4O3/c1-5-11-24(12-6-2)21(26)16-14-23-25-17(9-10-22-20(16)25)15-7-8-18(27-3)19(13-15)28-4/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyBLNAUJTWPYKWJV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.68
Rot. Bonds8

About 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 42855278) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID42855278
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn2c(-c3ccc(OC)c(OC)c3)ccnc12
InChIInChI=1S/C21H26N4O3/c1-5-11-24(12-6-2)21(26)16-14-23-25-17(9-10-22-20(16)25)15-7-8-18(27-3)19(13-15)28-4/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyBLNAUJTWPYKWJV-UHFFFAOYSA-N
XLogP3.68
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-methoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050176
7-(4-fluorophenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855236
7-(4-phenylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855352
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873234
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855267
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 56922227
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
N,N-diethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166249777
N,N-bis[(dimethylamino)methyl]-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67915903
7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 30849672

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 42855278) is 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN(CCC)C(=O)c1cnn2c(-c3ccc(OC)c(OC)c3)ccnc12.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BLNAUJTWPYKWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-5-11-24(12-6-2)21(26)16-14-23-25-17(9-10-22-20(16)25)15-7-8-18(27-3)19(13-15)28-4/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42855278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).