N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide

C15H19N3O2 — CID 71720500

IUPACN-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2c(C(C)C)[nH][nH]c2=O)cc1
InChIInChI=1S/C15H19N3O2/c1-9(2)14-13(15(20)18-17-14)8-11-4-6-12(7-5-11)16-10(3)19/h4-7,9H,8H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeySSHLFBPALWPGRA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.38
Rot. Bonds4

About N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide

N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide (PubChem CID 71720500) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide
PubChem CID71720500
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2c(C(C)C)[nH][nH]c2=O)cc1
InChIInChI=1S/C15H19N3O2/c1-9(2)14-13(15(20)18-17-14)8-11-4-6-12(7-5-11)16-10(3)19/h4-7,9H,8H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeySSHLFBPALWPGRA-UHFFFAOYSA-N
XLogP2.38
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide (CID 71720500) is N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2c(C(C)C)[nH][nH]c2=O)cc1.
What is the InChIKey of N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide?
The InChIKey is SSHLFBPALWPGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)14-13(15(20)18-17-14)8-11-4-6-12(7-5-11)16-10(3)19/h4-7,9H,8H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide?
N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 71720500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).