N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide

C17H17N3O — CID 95861300

IUPACN-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C17H17N3O/c1-12(21)18-15-9-7-14(8-10-15)17-11-16(19-20-17)13-5-3-2-4-6-13/h2-10,16,19H,11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyYPKXVTBWDCRBOI-INIZCTEOSA-N
MW279.34 g/mol
LogP3.08
Rot. Bonds3

About N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide

N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide (PubChem CID 95861300) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide
PubChem CID95861300
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C17H17N3O/c1-12(21)18-15-9-7-14(8-10-15)17-11-16(19-20-17)13-5-3-2-4-6-13/h2-10,16,19H,11H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyYPKXVTBWDCRBOI-INIZCTEOSA-N
XLogP3.08
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]acetamide
CID 53298016
2-[[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]carbamoyl]benzoic acid
CID 71500569
methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
CID 170722121
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3415879
N-(4-phenylphenyl)acetamide
CID 19998
N-[4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide
CID 25010935
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole
CID 139267128
CID 174682832
CID 174682832
4-[3-[4-[[4,6-bis(4-methoxyanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 71493357
N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135512181

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide (CID 95861300) is N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=NN[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide?
The InChIKey is YPKXVTBWDCRBOI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(21)18-15-9-7-14(8-10-15)17-11-16(19-20-17)13-5-3-2-4-6-13/h2-10,16,19H,11H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide?
N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 95861300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).