5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide

C16H14ClN3O3 — CID 75378620

IUPAC5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O3/c17-11-4-1-3-10(7-11)15-12(8-19-20-15)16(22)18-9-13(21)14-5-2-6-23-14/h1-8,13,21H,9H2,(H,18,22)(H,19,20)
InChIKeyUPYHLKHNMCLQDK-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.79
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide

5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide (PubChem CID 75378620) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
PubChem CID75378620
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O3/c17-11-4-1-3-10(7-11)15-12(8-19-20-15)16(22)18-9-13(21)14-5-2-6-23-14/h1-8,13,21H,9H2,(H,18,22)(H,19,20)
InChIKeyUPYHLKHNMCLQDK-UHFFFAOYSA-N
XLogP2.79
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 155944607
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70723908
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
CID 75425510
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 166233960
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide (CID 75378620) is 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide is O=C(NCC(O)c1ccco1)c1cn[nH]c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UPYHLKHNMCLQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-11-4-1-3-10(7-11)15-12(8-19-20-15)16(22)18-9-13(21)14-5-2-6-23-14/h1-8,13,21H,9H2,(H,18,22)(H,19,20).
What are the key properties of 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide?
5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 75378620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).