5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

C19H17ClFN3O2 — CID 149222210

IUPAC5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17ClFN3O2/c20-14-9-12(3-7-15(14)21)10-17-18(19(22)26)16(23-24-17)8-4-11-1-5-13(25)6-2-11/h1-3,5-7,9,25H,4,8,10H2,(H2,22,26)(H,23,24)
InChIKeyXIRDQPAEKPHFCJ-UHFFFAOYSA-N
MW373.81 g/mol
LogP3.38
Rot. Bonds6

About 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 149222210) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.81 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID149222210
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.81 g/mol
Exact Mass373.10
IUPAC Name5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H17ClFN3O2/c20-14-9-12(3-7-15(14)21)10-17-18(19(22)26)16(23-24-17)8-4-11-1-5-13(25)6-2-11/h1-3,5-7,9,25H,4,8,10H2,(H2,22,26)(H,23,24)
InChIKeyXIRDQPAEKPHFCJ-UHFFFAOYSA-N
XLogP3.38
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 149222210) is 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is NC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XIRDQPAEKPHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c20-14-9-12(3-7-15(14)21)10-17-18(19(22)26)16(23-24-17)8-4-11-1-5-13(25)6-2-11/h1-3,5-7,9,25H,4,8,10H2,(H2,22,26)(H,23,24).
What are the key properties of 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 373.81 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 149222210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).