5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H20F2N6O — CID 2236706

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1Cn1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1
InChIInChI=1S/C22H20F2N6O/c1-13-4-2-3-5-15(13)12-29-9-8-19(28-29)27-22(31)16-11-25-30-18(20(23)24)10-17(14-6-7-14)26-21(16)30/h2-5,8-11,14,20H,6-7,12H2,1H3,(H,27,28,31)
InChIKeyACSJZTICIUPTFA-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.35
Rot. Bonds6

About 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2236706) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2236706
Molecular FormulaC22H20F2N6O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1Cn1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1
InChIInChI=1S/C22H20F2N6O/c1-13-4-2-3-5-15(13)12-29-9-8-19(28-29)27-22(31)16-11-25-30-18(20(23)24)10-17(14-6-7-14)26-21(16)30/h2-5,8-11,14,20H,6-7,12H2,1H3,(H,27,28,31)
InChIKeyACSJZTICIUPTFA-UHFFFAOYSA-N
XLogP4.35
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2236706) is 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccccc1Cn1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ACSJZTICIUPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c1-13-4-2-3-5-15(13)12-29-9-8-19(28-29)27-22(31)16-11-25-30-18(20(23)24)10-17(14-6-7-14)26-21(16)30/h2-5,8-11,14,20H,6-7,12H2,1H3,(H,27,28,31).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2236706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).