4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide

C14H15ClFN3O2 — CID 77087691

IUPAC4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)c2ccc(O)c(F)c2)c1Cl
InChIInChI=1S/C14H15ClFN3O2/c1-7(9-4-5-11(20)10(16)6-9)17-14(21)13-12(15)8(2)18-19(13)3/h4-7,20H,1-3H3,(H,17,21)
InChIKeyNFULRCSAQCEYGL-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.72
Rot. Bonds3

About 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 77087691) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID77087691
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)c2ccc(O)c(F)c2)c1Cl
InChIInChI=1S/C14H15ClFN3O2/c1-7(9-4-5-11(20)10(16)6-9)17-14(21)13-12(15)8(2)18-19(13)3/h4-7,20H,1-3H3,(H,17,21)
InChIKeyNFULRCSAQCEYGL-UHFFFAOYSA-N
XLogP2.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PharmaGSID_47263
CID 135418174
4-chloro-N-[2-chloro-1-(4-phenoxyphenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 56965077
4-chloro-3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 56964968
4-chloro-3-ethyl-N-[2-hydroxy-1-(4-pentoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 56964969
4-chloro-N-[2-chloro-1-(4-pentoxyphenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 56965078
N-[(4-butoxyphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 14460868
4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 15008433
4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 15008437
4-chloro-3-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 14460846
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 14460859
4-chloro-N-[(4-ethoxyphenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 14460860
4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 14460861

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide (CID 77087691) is 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)c2ccc(O)c(F)c2)c1Cl.
What is the InChIKey of 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is NFULRCSAQCEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-7(9-4-5-11(20)10(16)6-9)17-14(21)13-12(15)8(2)18-19(13)3/h4-7,20H,1-3H3,(H,17,21).
What are the key properties of 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 311.74 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 77087691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).