7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F2N6O — CID 995509

IUPAC7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4cnn(C)c4)c3n2)cc1
InChIInChI=1S/C21H20F2N6O/c1-13-4-6-15(7-5-13)17-8-18(19(22)23)29-20(26-17)16(10-25-29)21(30)27(2)11-14-9-24-28(3)12-14/h4-10,12,19H,11H2,1-3H3
InChIKeyHQQYSYGDZZFZDL-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.65
Rot. Bonds5

About 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995509) has the molecular formula C21H20F2N6O and a molecular weight of 410.43 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995509
Molecular FormulaC21H20F2N6O
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4cnn(C)c4)c3n2)cc1
InChIInChI=1S/C21H20F2N6O/c1-13-4-6-15(7-5-13)17-8-18(19(22)23)29-20(26-17)16(10-25-29)21(30)27(2)11-14-9-24-28(3)12-14/h4-10,12,19H,11H2,1-3H3
InChIKeyHQQYSYGDZZFZDL-UHFFFAOYSA-N
XLogP3.65
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995509) is 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4cnn(C)c4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HQQYSYGDZZFZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-13-4-6-15(7-5-13)17-8-18(19(22)23)29-20(26-17)16(10-25-29)21(30)27(2)11-14-9-24-28(3)12-14/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).