dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate

C17H20ClN3O4 — CID 15833242

IUPACdipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate
SMILESCC(C)OC(=O)c1nn(-c2ccc(Cl)cc2)c(N)c1C(=O)OC(C)C
InChIInChI=1S/C17H20ClN3O4/c1-9(2)24-16(22)13-14(17(23)25-10(3)4)20-21(15(13)19)12-7-5-11(18)6-8-12/h5-10H,19H2,1-4H3
InChIKeySJKVQMKENICJCQ-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.24
Rot. Bonds5

About dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate

dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate (PubChem CID 15833242) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate
PubChem CID15833242
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Namedipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate
SMILESCC(C)OC(=O)c1nn(-c2ccc(Cl)cc2)c(N)c1C(=O)OC(C)C
InChIInChI=1S/C17H20ClN3O4/c1-9(2)24-16(22)13-14(17(23)25-10(3)4)20-21(15(13)19)12-7-5-11(18)6-8-12/h5-10H,19H2,1-4H3
InChIKeySJKVQMKENICJCQ-UHFFFAOYSA-N
XLogP3.24
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 3-amino-2-chloro-6-fluorobenzoate
CID 135395557
2-ethoxyethyl 5-amino-1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylate
CID 44573827
dimethyl 5-(5-amino-3-methyl-4-propan-2-yloxycarbonylpyrazol-1-yl)benzene-1,3-dicarboxylate
CID 52911785
propan-2-yl 5-amino-1-(4-ethoxycarbonylphenyl)triazole-4-carboxylate
CID 94940205
5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile
CID 16781544
ethyl 4-acetyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate
CID 162535284
propan-2-yl 2-amino-3,6-difluorobenzoate
CID 60836795
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102809174
propan-2-yl 2-amino-6-fluoro-3-methylbenzoate
CID 60837625
propan-2-yl 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzoate
CID 50889004
propan-2-yl 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetate
CID 47095765
1-[3-acetyl-1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanone
CID 16766692

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate (CID 15833242) is dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate is CC(C)OC(=O)c1nn(-c2ccc(Cl)cc2)c(N)c1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate?
The InChIKey is SJKVQMKENICJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-9(2)24-16(22)13-14(17(23)25-10(3)4)20-21(15(13)19)12-7-5-11(18)6-8-12/h5-10H,19H2,1-4H3.
What are the key properties of dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate?
dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate has a molecular weight of 365.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5-amino-1-(4-chlorophenyl)pyrazole-3,4-dicarboxylate is sourced from PubChem (CID 15833242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).