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

C21H20F2N6O — CID 68955544

IUPAC7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)C(C)c4cn[nH]c4)c3n2)cc1
InChIInChI=1S/C21H20F2N6O/c1-12-4-6-14(7-5-12)17-8-18(19(22)23)29-20(27-17)16(11-26-29)21(30)28(3)13(2)15-9-24-25-10-15/h4-11,13,19H,1-3H3,(H,24,25)
InChIKeyMZJRNFLVTCDOCB-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.20
Rot. Bonds5

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

7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68955544) 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-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68955544
Molecular FormulaC21H20F2N6O
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)C(C)c4cn[nH]c4)c3n2)cc1
InChIInChI=1S/C21H20F2N6O/c1-12-4-6-14(7-5-12)17-8-18(19(22)23)29-20(27-17)16(11-26-29)21(30)28(3)13(2)15-9-24-25-10-15/h4-11,13,19H,1-3H3,(H,24,25)
InChIKeyMZJRNFLVTCDOCB-UHFFFAOYSA-N
XLogP4.20
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68955544) is 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)C(C)c4cn[nH]c4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MZJRNFLVTCDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-12-4-6-14(7-5-12)17-8-18(19(22)23)29-20(27-17)16(11-26-29)21(30)28(3)13(2)15-9-24-25-10-15/h4-11,13,19H,1-3H3,(H,24,25).
What are the key properties of 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-methyl-5-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68955544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).