N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H16FN5O2 — CID 55972126

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C21H16FN5O2/c1-12-16(22)9-14(19(23)28)10-17(12)26-21(29)15-11-25-27-18(7-8-24-20(15)27)13-5-3-2-4-6-13/h2-11H,1H3,(H2,23,28)(H,26,29)
InChIKeyILBKRVCRAXWLIL-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.20
Rot. Bonds4

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55972126) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55972126
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C21H16FN5O2/c1-12-16(22)9-14(19(23)28)10-17(12)26-21(29)15-11-25-27-18(7-8-24-20(15)27)13-5-3-2-4-6-13/h2-11H,1H3,(H2,23,28)(H,26,29)
InChIKeyILBKRVCRAXWLIL-UHFFFAOYSA-N
XLogP3.20
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55972126) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ILBKRVCRAXWLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-12-16(22)9-14(19(23)28)10-17(12)26-21(29)15-11-25-27-18(7-8-24-20(15)27)13-5-3-2-4-6-13/h2-11H,1H3,(H2,23,28)(H,26,29).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55972126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).