propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate

C23H24N6O3 — CID 19404572

IUPACpropan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2cnn3c(-c4ccc(C)cc4)ccnc23)c(C(=O)OC(C)C)n1
InChIInChI=1S/C23H24N6O3/c1-5-28-13-18(20(27-28)23(31)32-14(2)3)26-22(30)17-12-25-29-19(10-11-24-21(17)29)16-8-6-15(4)7-9-16/h6-14H,5H2,1-4H3,(H,26,30)
InChIKeyPVTIABJSKHCFEL-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.74
Rot. Bonds6

About propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate

propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate (PubChem CID 19404572) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate
PubChem CID19404572
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Namepropan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2cnn3c(-c4ccc(C)cc4)ccnc23)c(C(=O)OC(C)C)n1
InChIInChI=1S/C23H24N6O3/c1-5-28-13-18(20(27-28)23(31)32-14(2)3)26-22(30)17-12-25-29-19(10-11-24-21(17)29)16-8-6-15(4)7-9-16/h6-14H,5H2,1-4H3,(H,26,30)
InChIKeyPVTIABJSKHCFEL-UHFFFAOYSA-N
XLogP3.74
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561
N-(1,3-dimethylpyrazol-4-yl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19346262
N-[4-(diethylamino)phenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440362
N-[1-(methoxymethyl)pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19411087
7-(4-methylphenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440385
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19406547
N-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050163
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440525
7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440483
N-[1-(2-ethylpyrazol-3-yl)ethyl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19415119
7-(4-methylphenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19284738
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19408864

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate?
The IUPAC name of propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate (CID 19404572) is propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate?
The canonical SMILES for propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate is CCn1cc(NC(=O)c2cnn3c(-c4ccc(C)cc4)ccnc23)c(C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate?
The InChIKey is PVTIABJSKHCFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-5-28-13-18(20(27-28)23(31)32-14(2)3)26-22(30)17-12-25-29-19(10-11-24-21(17)29)16-8-6-15(4)7-9-16/h6-14H,5H2,1-4H3,(H,26,30).
What are the key properties of propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate?
propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-ethyl-4-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazole-3-carboxylate is sourced from PubChem (CID 19404572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).