N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H17F2N7O2 — CID 19412628

IUPACN-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c(C(N)=O)n1
InChIInChI=1S/C20H17F2N7O2/c1-2-28-10-14(16(27-28)18(23)30)26-20(31)12-9-24-29-15(17(21)22)8-13(25-19(12)29)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3,(H2,23,30)(H,26,31)
InChIKeyYIJOHNWZIOYLDI-UHFFFAOYSA-N
MW425.40 g/mol
LogP2.90
Rot. Bonds6

About N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19412628) has the molecular formula C20H17F2N7O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19412628
Molecular FormulaC20H17F2N7O2
Molecular Weight425.40 g/mol
Exact Mass425.14
IUPAC NameN-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c(C(N)=O)n1
InChIInChI=1S/C20H17F2N7O2/c1-2-28-10-14(16(27-28)18(23)30)26-20(31)12-9-24-29-15(17(21)22)8-13(25-19(12)29)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3,(H2,23,30)(H,26,31)
InChIKeyYIJOHNWZIOYLDI-UHFFFAOYSA-N
XLogP2.90
TPSA120.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19412628) is N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YIJOHNWZIOYLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O2/c1-2-28-10-14(16(27-28)18(23)30)26-20(31)12-9-24-29-15(17(21)22)8-13(25-19(12)29)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3,(H2,23,30)(H,26,31).
What are the key properties of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19412628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).