N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide

C18H25N3O2 — CID 110928398

IUPACN-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide
SMILESCCCc1ccc(-c2cc(NC(=O)C(C)C)n(CCO)n2)cc1
InChIInChI=1S/C18H25N3O2/c1-4-5-14-6-8-15(9-7-14)16-12-17(19-18(23)13(2)3)21(20-16)10-11-22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyCFURGMPYYHKGNL-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.09
Rot. Bonds7

About N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide

N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide (PubChem CID 110928398) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide
PubChem CID110928398
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide
SMILESCCCc1ccc(-c2cc(NC(=O)C(C)C)n(CCO)n2)cc1
InChIInChI=1S/C18H25N3O2/c1-4-5-14-6-8-15(9-7-14)16-12-17(19-18(23)13(2)3)21(20-16)10-11-22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyCFURGMPYYHKGNL-UHFFFAOYSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide (CID 110928398) is N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide is CCCc1ccc(-c2cc(NC(=O)C(C)C)n(CCO)n2)cc1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide?
The InChIKey is CFURGMPYYHKGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-5-14-6-8-15(9-7-14)16-12-17(19-18(23)13(2)3)21(20-16)10-11-22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,19,23).
What are the key properties of N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide?
N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide has a molecular weight of 315.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 110928398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).