3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide

C18H23FN4O3 — CID 171057495

IUPAC3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)Nc1cnn(CC(=O)N(C)CCO)c1
InChIInChI=1S/C18H23FN4O3/c1-13(9-14-3-5-15(19)6-4-14)18(26)21-16-10-20-23(11-16)12-17(25)22(2)7-8-24/h3-6,10-11,13,24H,7-9,12H2,1-2H3,(H,21,26)
InChIKeyHFSANMOGKHFLFV-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.29
Rot. Bonds8

About 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide

3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide (PubChem CID 171057495) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide
PubChem CID171057495
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)Nc1cnn(CC(=O)N(C)CCO)c1
InChIInChI=1S/C18H23FN4O3/c1-13(9-14-3-5-15(19)6-4-14)18(26)21-16-10-20-23(11-16)12-17(25)22(2)7-8-24/h3-6,10-11,13,24H,7-9,12H2,1-2H3,(H,21,26)
InChIKeyHFSANMOGKHFLFV-UHFFFAOYSA-N
XLogP1.29
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide (CID 171057495) is 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide is CC(Cc1ccc(F)cc1)C(=O)Nc1cnn(CC(=O)N(C)CCO)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is HFSANMOGKHFLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-13(9-14-3-5-15(19)6-4-14)18(26)21-16-10-20-23(11-16)12-17(25)22(2)7-8-24/h3-6,10-11,13,24H,7-9,12H2,1-2H3,(H,21,26).
What are the key properties of 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide?
3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 362.41 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 171057495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).