N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20F2N4O3 — CID 19440525

IUPACN-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1cc(NC(=O)c2cnn3c(-c4ccc(C)cc4)ccnc23)ccc1OC(F)F
InChIInChI=1S/C23H20F2N4O3/c1-3-31-20-12-16(8-9-19(20)32-23(24)25)28-22(30)17-13-27-29-18(10-11-26-21(17)29)15-6-4-14(2)5-7-15/h4-13,23H,3H2,1-2H3,(H,28,30)
InChIKeyJNDHHISWGYLFKT-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.96
Rot. Bonds7

About N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440525) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440525
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC NameN-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1cc(NC(=O)c2cnn3c(-c4ccc(C)cc4)ccnc23)ccc1OC(F)F
InChIInChI=1S/C23H20F2N4O3/c1-3-31-20-12-16(8-9-19(20)32-23(24)25)28-22(30)17-13-27-29-18(10-11-26-21(17)29)15-6-4-14(2)5-7-15/h4-13,23H,3H2,1-2H3,(H,28,30)
InChIKeyJNDHHISWGYLFKT-UHFFFAOYSA-N
XLogP4.96
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46435358
7-(3-methylphenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24712200
N-[1-(methoxymethyl)pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19411087
N-(2,5-diethoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55664091
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19406547
propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19404572
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19408864
ethyl 7-[3-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19514355
methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
CID 19440492

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440525) is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1cc(NC(=O)c2cnn3c(-c4ccc(C)cc4)ccnc23)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JNDHHISWGYLFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c1-3-31-20-12-16(8-9-19(20)32-23(24)25)28-22(30)17-13-27-29-18(10-11-26-21(17)29)15-6-4-14(2)5-7-15/h4-13,23H,3H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).