N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H18ClN5O — CID 55972472

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C21H18ClN5O/c1-26(2)19-16(22)9-6-10-17(19)25-21(28)15-13-24-27-18(11-12-23-20(15)27)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,28)
InChIKeyJMLIBJJLAUNXBZ-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.37
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55972472) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55972472
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C21H18ClN5O/c1-26(2)19-16(22)9-6-10-17(19)25-21(28)15-13-24-27-18(11-12-23-20(15)27)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,28)
InChIKeyJMLIBJJLAUNXBZ-UHFFFAOYSA-N
XLogP4.37
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86860357
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
N-[3-(2-methoxyethoxy)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55959199
N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55664091
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972126
7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440483
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852521
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78865898
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 78886697

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55972472) is N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JMLIBJJLAUNXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-26(2)19-16(22)9-6-10-17(19)25-21(28)15-13-24-27-18(11-12-23-20(15)27)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,28).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55972472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).