N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H23N5O2 — CID 160690336

IUPACN-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C23H23N5O2/c1-14-20(22(29)25-17-12-8-9-13-18(17)27(3)4)23(30)28-21(24-14)19(15(2)26-28)16-10-6-5-7-11-16/h5-13,26H,1-4H3,(H,25,29)
InChIKeyBCSJTVWRBAMKJR-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.62
Rot. Bonds4

About N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 160690336) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID160690336
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C23H23N5O2/c1-14-20(22(29)25-17-12-8-9-13-18(17)27(3)4)23(30)28-21(24-14)19(15(2)26-28)16-10-6-5-7-11-16/h5-13,26H,1-4H3,(H,25,29)
InChIKeyBCSJTVWRBAMKJR-UHFFFAOYSA-N
XLogP3.62
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 160690336) is N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1C(=O)Nc1ccccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BCSJTVWRBAMKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-20(22(29)25-17-12-8-9-13-18(17)27(3)4)23(30)28-21(24-14)19(15(2)26-28)16-10-6-5-7-11-16/h5-13,26H,1-4H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 160690336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).