N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20ClFN4O2 — CID 15988858

IUPACN-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccc(Cl)cc3)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C23H20ClFN4O2/c1-14-18(12-16-4-2-3-5-20(16)25)23(31)29-21(28-14)19(13-27-29)22(30)26-11-10-15-6-8-17(24)9-7-15/h2-9,13,27H,10-12H2,1H3,(H,26,30)
InChIKeyNUQLNUQGHWJNBJ-UHFFFAOYSA-N
MW438.89 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15988858) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15988858
Molecular FormulaC23H20ClFN4O2
Molecular Weight438.89 g/mol
Exact Mass438.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccc(Cl)cc3)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C23H20ClFN4O2/c1-14-18(12-16-4-2-3-5-20(16)25)23(31)29-21(28-14)19(13-27-29)22(30)26-11-10-15-6-8-17(24)9-7-15/h2-9,13,27H,10-12H2,1H3,(H,26,30)
InChIKeyNUQLNUQGHWJNBJ-UHFFFAOYSA-N
XLogP3.69
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15988858) is N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCCc3ccc(Cl)cc3)c[nH]n2c(=O)c1Cc1ccccc1F.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NUQLNUQGHWJNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c1-14-18(12-16-4-2-3-5-20(16)25)23(31)29-21(28-14)19(13-27-29)22(30)26-11-10-15-6-8-17(24)9-7-15/h2-9,13,27H,10-12H2,1H3,(H,26,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.89 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15988858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).