7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20F2N4O3 — CID 3158203

IUPAC7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12
InChIInChI=1S/C19H20F2N4O3/c1-11(10-27-2)23-19(26)14-9-22-25-16(17(20)21)8-15(24-18(14)25)12-4-6-13(28-3)7-5-12/h4-9,11,17H,10H2,1-3H3,(H,23,26)
InChIKeyKMZMJCUDCZBNMH-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.11
Rot. Bonds7

About 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3158203) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3158203
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12
InChIInChI=1S/C19H20F2N4O3/c1-11(10-27-2)23-19(26)14-9-22-25-16(17(20)21)8-15(24-18(14)25)12-4-6-13(28-3)7-5-12/h4-9,11,17H,10H2,1-3H3,(H,23,26)
InChIKeyKMZMJCUDCZBNMH-UHFFFAOYSA-N
XLogP3.11
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3158203) is 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KMZMJCUDCZBNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-11(10-27-2)23-19(26)14-9-22-25-16(17(20)21)8-15(24-18(14)25)12-4-6-13(28-3)7-5-12/h4-9,11,17H,10H2,1-3H3,(H,23,26).
What are the key properties of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3158203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).