1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole

C14H15N3 — CID 126655401

IUPAC1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole
SMILESC1=CCN(c2ccn(Cc3ccccc3)n2)C1
InChIInChI=1S/C14H15N3/c1-2-6-13(7-3-1)12-17-11-8-14(15-17)16-9-4-5-10-16/h1-8,11H,9-10,12H2
InChIKeyGCMAWMSFMCGSJV-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.31
Rot. Bonds3

About 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole

1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole (PubChem CID 126655401) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole.

Molecular Properties

Compound Name1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole
PubChem CID126655401
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole
SMILESC1=CCN(c2ccn(Cc3ccccc3)n2)C1
InChIInChI=1S/C14H15N3/c1-2-6-13(7-3-1)12-17-11-8-14(15-17)16-9-4-5-10-16/h1-8,11H,9-10,12H2
InChIKeyGCMAWMSFMCGSJV-UHFFFAOYSA-N
XLogP2.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-benzylpyrazol-3-yl)morpholine
CID 126655269
1-(1-benzylpyrazol-3-yl)piperazine
CID 126655369
(3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol
CID 126678711
1-(1-benzylpyrazol-3-yl)-1,4-diazepan-5-one
CID 126655465
(3S,4R)-1-(1-benzylpyrazol-3-yl)-3,4-dimethoxypiperidine
CID 126655537
(3S)-1-(1-benzylpyrazol-3-yl)-2,2,4,4,5,5,6,6-octadeuterio-3-methylpiperidin-3-ol
CID 126655637
1-benzyl-3-bromopyrazole
CID 97053225
7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 126655484
ethane;methyl 1-(1-benzylpyrazol-3-yl)pyrrolidine-3-carboxylate
CID 145270847
6-(1-benzylpyrazol-3-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 145270813
tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate
CID 126672095
2-(1-benzylpyrazol-3-yl)pyridine
CID 71374413

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole?
The IUPAC name of 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole (CID 126655401) is 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole.
What is the SMILES notation for 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole?
The canonical SMILES for 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole is C1=CCN(c2ccn(Cc3ccccc3)n2)C1.
What is the InChIKey of 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole?
The InChIKey is GCMAWMSFMCGSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-6-13(7-3-1)12-17-11-8-14(15-17)16-9-4-5-10-16/h1-8,11H,9-10,12H2.
What are the key properties of 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole?
1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole has a molecular weight of 225.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole is sourced from PubChem (CID 126655401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).