3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide

C12H11Cl2N3O2 — CID 19509988

IUPAC3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C12H11Cl2N3O2/c13-7-1-2-8(9(14)5-7)10-6-11(17-16-10)12(19)15-3-4-18/h1-2,5-6,18H,3-4H2,(H,15,19)(H,16,17)
InChIKeyBMUXKYSNQPRTNH-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.11
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509988) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
PubChem CID19509988
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C12H11Cl2N3O2/c13-7-1-2-8(9(14)5-7)10-6-11(17-16-10)12(19)15-3-4-18/h1-2,5-6,18H,3-4H2,(H,15,19)(H,16,17)
InChIKeyBMUXKYSNQPRTNH-UHFFFAOYSA-N
XLogP2.11
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-(2,3,4-trichlorophenyl)-1H-pyrazole-5-carboxamide
CID 24178170
3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 940183
3-(2,4-dichlorophenyl)-N-isopropyl-1H-pyrazole-5-carboxamide
CID 19510029
N-[(2,4-Dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-acetamide
CID 23654666
3-(2,4-dichloro-5-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 24178141
3-(2,4-difluorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 24178169
3-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-1H-pyrazole-5-carboxamide
CID 24178178
3-(2,4-dichloro-5-fluorophenyl)-N-(3-hydroxypropyl)-1H-pyrazole-5-carboxamide
CID 24178184
3-(2,4-dichlorophenyl)-N-isobutyl-1H-pyrazole-5-carboxamide
CID 19509990
3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
CID 19510137
3-(2,4-dichlorophenyl)-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 24178126
3-(2,4-dichloro-5-fluorophenyl)-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 24178130

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide (CID 19509988) is 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide is O=C(NCCO)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BMUXKYSNQPRTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c13-7-1-2-8(9(14)5-7)10-6-11(17-16-10)12(19)15-3-4-18/h1-2,5-6,18H,3-4H2,(H,15,19)(H,16,17).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 300.15 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).