2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide

C15H18N4O — CID 110689996

IUPAC2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cn1cccn1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H18N4O/c20-15(12-19-11-3-8-16-19)17-13-4-6-14(7-5-13)18-9-1-2-10-18/h3-8,11H,1-2,9-10,12H2,(H,17,20)
InChIKeyITPZRWRMLZVDEY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.12
Rot. Bonds4

About 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110689996) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110689996
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cn1cccn1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H18N4O/c20-15(12-19-11-3-8-16-19)17-13-4-6-14(7-5-13)18-9-1-2-10-18/h3-8,11H,1-2,9-10,12H2,(H,17,20)
InChIKeyITPZRWRMLZVDEY-UHFFFAOYSA-N
XLogP2.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 47126948
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-pyrazol-1-ylacetamide
CID 122356669
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(5-piperazin-1-yl-2-pyridinyl)-2-pyrazol-1-ylacetamide
CID 119494481
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-(2,6-dichlorophenyl)-2-pyrazol-1-ylacetamide
CID 110690005
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110689996) is 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(Cn1cccn1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ITPZRWRMLZVDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(12-19-11-3-8-16-19)17-13-4-6-14(7-5-13)18-9-1-2-10-18/h3-8,11H,1-2,9-10,12H2,(H,17,20).
What are the key properties of 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 270.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110689996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).