N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide

C20H26N4O — CID 56913832

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
SMILESO=C(NCCCn1nccc1C1CC1)c1ccccc1C1CCNC1
InChIInChI=1S/C20H26N4O/c25-20(18-5-2-1-4-17(18)16-8-11-21-14-16)22-10-3-13-24-19(9-12-23-24)15-6-7-15/h1-2,4-5,9,12,15-16,21H,3,6-8,10-11,13-14H2,(H,22,25)
InChIKeyCHZJVBBERIZCCO-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.66
Rot. Bonds7

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide (PubChem CID 56913832) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
PubChem CID56913832
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
SMILESO=C(NCCCn1nccc1C1CC1)c1ccccc1C1CCNC1
InChIInChI=1S/C20H26N4O/c25-20(18-5-2-1-4-17(18)16-8-11-21-14-16)22-10-3-13-24-19(9-12-23-24)15-6-7-15/h1-2,4-5,9,12,15-16,21H,3,6-8,10-11,13-14H2,(H,22,25)
InChIKeyCHZJVBBERIZCCO-UHFFFAOYSA-N
XLogP2.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72882328
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97195958
2-pyrrolidin-3-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 56905504
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95707440
N-hexyl-2-piperidin-4-ylbenzamide
CID 170456896
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 118785041
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 118782202
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
2-[(3R)-pyrrolidin-3-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 95714521
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126454273

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide (CID 56913832) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide is O=C(NCCCn1nccc1C1CC1)c1ccccc1C1CCNC1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide?
The InChIKey is CHZJVBBERIZCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(18-5-2-1-4-17(18)16-8-11-21-14-16)22-10-3-13-24-19(9-12-23-24)15-6-7-15/h1-2,4-5,9,12,15-16,21H,3,6-8,10-11,13-14H2,(H,22,25).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide has a molecular weight of 338.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 56913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).