N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide

C24H24FN5O3 — CID 19273164

IUPACN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(OCn2ccc(C(=O)Nc3c(C)nn(Cc4ccccc4F)c3C)n2)cc1
InChIInChI=1S/C24H24FN5O3/c1-16-23(17(2)30(27-16)14-18-6-4-5-7-21(18)25)26-24(31)22-12-13-29(28-22)15-33-20-10-8-19(32-3)9-11-20/h4-13H,14-15H2,1-3H3,(H,26,31)
InChIKeyAIPRQZWDLSIJCO-UHFFFAOYSA-N
MW449.49 g/mol
LogP4.18
Rot. Bonds8

About N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273164) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19273164
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(OCn2ccc(C(=O)Nc3c(C)nn(Cc4ccccc4F)c3C)n2)cc1
InChIInChI=1S/C24H24FN5O3/c1-16-23(17(2)30(27-16)14-18-6-4-5-7-21(18)25)26-24(31)22-12-13-29(28-22)15-33-20-10-8-19(32-3)9-11-20/h4-13H,14-15H2,1-3H3,(H,26,31)
InChIKeyAIPRQZWDLSIJCO-UHFFFAOYSA-N
XLogP4.18
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273336
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275825
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270729
1-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19265220
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276297
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277222
1-[(3-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19402158
1-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19269522
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-[(4-methoxyphenoxy)methyl]pyrazol-3-yl]methanone
CID 19473045
1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286005
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19262165
5-chloro-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methoxybenzamide
CID 19408223

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (CID 19273164) is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is COc1ccc(OCn2ccc(C(=O)Nc3c(C)nn(Cc4ccccc4F)c3C)n2)cc1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is AIPRQZWDLSIJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-16-23(17(2)30(27-16)14-18-6-4-5-7-21(18)25)26-24(31)22-12-13-29(28-22)15-33-20-10-8-19(32-3)9-11-20/h4-13H,14-15H2,1-3H3,(H,26,31).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).