1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide

C24H28FN3O3 — CID 46414979

IUPAC1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(C)C
InChIInChI=1S/C24H28FN3O3/c1-15(2)14-31-22-11-6-18(12-23(22)30-5)16(3)27-24(29)21-13-26-28(17(21)4)20-9-7-19(25)8-10-20/h6-13,15-16H,14H2,1-5H3,(H,27,29)
InChIKeyLRNHSYDPEWCINC-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.85
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide (PubChem CID 46414979) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
PubChem CID46414979
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(C)C
InChIInChI=1S/C24H28FN3O3/c1-15(2)14-31-22-11-6-18(12-23(22)30-5)16(3)27-24(29)21-13-26-28(17(21)4)20-9-7-19(25)8-10-20/h6-13,15-16H,14H2,1-5H3,(H,27,29)
InChIKeyLRNHSYDPEWCINC-UHFFFAOYSA-N
XLogP4.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 97066487
N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46587133
4-(2-amino-2-oxoethoxy)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-methoxybenzamide
CID 55617179
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 55639036
5-acetamido-2-fluoro-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 60567782
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508898
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 25498964
(2R)-2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119368921
2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119170322
1-(4-fluorophenyl)-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46576724
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 51088187

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide (CID 46414979) is 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide is COc1cc(C(C)NC(=O)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCC(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is LRNHSYDPEWCINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-15(2)14-31-22-11-6-18(12-23(22)30-5)16(3)27-24(29)21-13-26-28(17(21)4)20-9-7-19(25)8-10-20/h6-13,15-16H,14H2,1-5H3,(H,27,29).
What are the key properties of 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 46414979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).