7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16F2N4O — CID 1093969

IUPAC7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1
InChIInChI=1S/C17H16F2N4O/c1-3-11-4-6-12(7-5-11)22-17(24)13-9-20-23-14(15(18)19)8-10(2)21-16(13)23/h4-9,15H,3H2,1-2H3,(H,22,24)
InChIKeyKMOYDBZAUGGJNC-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.79
Rot. Bonds4

About 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1093969) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1093969
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1
InChIInChI=1S/C17H16F2N4O/c1-3-11-4-6-12(7-5-11)22-17(24)13-9-20-23-14(15(18)19)8-10(2)21-16(13)23/h4-9,15H,3H2,1-2H3,(H,22,24)
InChIKeyKMOYDBZAUGGJNC-UHFFFAOYSA-N
XLogP3.79
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1093969) is 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KMOYDBZAUGGJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-3-11-4-6-12(7-5-11)22-17(24)13-9-20-23-14(15(18)19)8-10(2)21-16(13)23/h4-9,15H,3H2,1-2H3,(H,22,24).
What are the key properties of 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1093969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).