N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide

C16H16ClN5O2 — CID 71933982

IUPACN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO
InChIInChI=1S/C16H16ClN5O2/c1-21-14(5-6-18-21)16(24)19-15-10-13(20-22(15)7-8-23)11-3-2-4-12(17)9-11/h2-6,9-10,23H,7-8H2,1H3,(H,19,24)
InChIKeyQFGQZRZFGGAZHK-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.18
Rot. Bonds5

About N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide

N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 71933982) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide
PubChem CID71933982
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO
InChIInChI=1S/C16H16ClN5O2/c1-21-14(5-6-18-21)16(24)19-15-10-13(20-22(15)7-8-23)11-3-2-4-12(17)9-11/h2-6,9-10,23H,7-8H2,1H3,(H,19,24)
InChIKeyQFGQZRZFGGAZHK-UHFFFAOYSA-N
XLogP2.18
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide
CID 110928375
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 136543276
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4620973
1-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-prop-2-ynylurea
CID 110929154
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
2-methyl-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]pyrazole-3-carboxamide
CID 71934871
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 19475543
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477338
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 126811714
ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate
CID 175151342

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide (CID 71933982) is N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is QFGQZRZFGGAZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-21-14(5-6-18-21)16(24)19-15-10-13(20-22(15)7-8-23)11-3-2-4-12(17)9-11/h2-6,9-10,23H,7-8H2,1H3,(H,19,24).
What are the key properties of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide?
N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71933982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).