3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide

C18H22FN3O3 — CID 167907121

IUPAC3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide
SMILESCc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1(CCO)CC1
InChIInChI=1S/C18H22FN3O3/c1-12-15(6-7-16(24)20-18(8-9-18)10-11-23)17(25)22(21-12)14-4-2-13(19)3-5-14/h2-5,21,23H,6-11H2,1H3,(H,20,24)
InChIKeyJYZGSQGICMVNFE-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.58
Rot. Bonds7

About 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide

3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide (PubChem CID 167907121) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide
PubChem CID167907121
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide
SMILESCc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1(CCO)CC1
InChIInChI=1S/C18H22FN3O3/c1-12-15(6-7-16(24)20-18(8-9-18)10-11-23)17(25)22(21-12)14-4-2-13(19)3-5-14/h2-5,21,23H,6-11H2,1H3,(H,20,24)
InChIKeyJYZGSQGICMVNFE-UHFFFAOYSA-N
XLogP1.58
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide (CID 167907121) is 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide is Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1(CCO)CC1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide?
The InChIKey is JYZGSQGICMVNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12-15(6-7-16(24)20-18(8-9-18)10-11-23)17(25)22(21-12)14-4-2-13(19)3-5-14/h2-5,21,23H,6-11H2,1H3,(H,20,24).
What are the key properties of 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide?
3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide has a molecular weight of 347.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide is sourced from PubChem (CID 167907121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).