N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H23N5O2 — CID 55853108

IUPACN-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H23N5O2/c1-16(2)27-22(30)14-17-8-10-19(11-9-17)28-24(31)20-15-26-29-21(12-13-25-23(20)29)18-6-4-3-5-7-18/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyGRYHBDSICMHBKP-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.72
Rot. Bonds6

About N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55853108) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55853108
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H23N5O2/c1-16(2)27-22(30)14-17-8-10-19(11-9-17)28-24(31)20-15-26-29-21(12-13-25-23(20)29)18-6-4-3-5-7-18/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyGRYHBDSICMHBKP-UHFFFAOYSA-N
XLogP3.72
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-[3-(2-methoxyethoxy)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55959199
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]propanamide
CID 13476016
7-(3-methylphenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24712200
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
N-[1-(4-methoxyphenyl)-2-methylpropyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55909145
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78865898
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 13476013
7-(2-chlorophenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855250
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55853108) is N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GRYHBDSICMHBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16(2)27-22(30)14-17-8-10-19(11-9-17)28-24(31)20-15-26-29-21(12-13-25-23(20)29)18-6-4-3-5-7-18/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55853108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).