5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide

C12H11Cl3N4O2 — CID 11314088

IUPAC5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(CCO)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N
InChIInChI=1S/C12H11Cl3N4O2/c13-5-3-6(14)10(7(15)4-5)19-11(16)9(12(17)21)8(18-19)1-2-20/h3-4,20H,1-2,16H2,(H2,17,21)
InChIKeyYUZYUPDQMFAOKM-UHFFFAOYSA-N
MW349.61 g/mol
LogP2.05
Rot. Bonds4

About 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide

5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (PubChem CID 11314088) has the molecular formula C12H11Cl3N4O2 and a molecular weight of 349.61 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
PubChem CID11314088
Molecular FormulaC12H11Cl3N4O2
Molecular Weight349.61 g/mol
Exact Mass347.99
IUPAC Name5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(CCO)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N
InChIInChI=1S/C12H11Cl3N4O2/c13-5-3-6(14)10(7(15)4-5)19-11(16)9(12(17)21)8(18-19)1-2-20/h3-4,20H,1-2,16H2,(H2,17,21)
InChIKeyYUZYUPDQMFAOKM-UHFFFAOYSA-N
XLogP2.05
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (CID 11314088) is 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is NC(=O)c1c(CCO)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N.
What is the InChIKey of 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is YUZYUPDQMFAOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4O2/c13-5-3-6(14)10(7(15)4-5)19-11(16)9(12(17)21)8(18-19)1-2-20/h3-4,20H,1-2,16H2,(H2,17,21).
What are the key properties of 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 349.61 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 11314088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).