6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C17H12Cl2N6O3 — CID 177062253

IUPAC6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cnc2cc(C(=O)O)nn2c1
InChIInChI=1S/C17H12Cl2N6O3/c18-11-2-1-10(5-12(11)19)24-4-3-14(23-24)21-16(26)9-7-20-15-6-13(17(27)28)22-25(15)8-9/h1-2,5-8H,3-4H2,(H,27,28)(H,21,23,26)
InChIKeyFGYLNBBBSCGWAT-UHFFFAOYSA-N
MW419.23 g/mol
LogP2.69
Rot. Bonds3

About 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 177062253) has the molecular formula C17H12Cl2N6O3 and a molecular weight of 419.23 g/mol. Its IUPAC name is 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID177062253
Molecular FormulaC17H12Cl2N6O3
Molecular Weight419.23 g/mol
Exact Mass418.03
IUPAC Name6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cnc2cc(C(=O)O)nn2c1
InChIInChI=1S/C17H12Cl2N6O3/c18-11-2-1-10(5-12(11)19)24-4-3-14(23-24)21-16(26)9-7-20-15-6-13(17(27)28)22-25(15)8-9/h1-2,5-8H,3-4H2,(H,27,28)(H,21,23,26)
InChIKeyFGYLNBBBSCGWAT-UHFFFAOYSA-N
XLogP2.69
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 177061825
4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide
CID 15580737
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 177062079
3-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
CID 177062058
3-[2-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 177062315
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide
CID 177062026
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
CID 177062410
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide
CID 177135458
CID 177061894
CID 177061894
2-[2-[[4-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-4-oxobutyl]amino]-2-oxoethoxy]acetyl iodide
CID 177062094
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 177062049
N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90974286

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 177062253) is 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cnc2cc(C(=O)O)nn2c1.
What is the InChIKey of 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is FGYLNBBBSCGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N6O3/c18-11-2-1-10(5-12(11)19)24-4-3-14(23-24)21-16(26)9-7-20-15-6-13(17(27)28)22-25(15)8-9/h1-2,5-8H,3-4H2,(H,27,28)(H,21,23,26).
What are the key properties of 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 419.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 177062253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).