4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole

C16H21N3 — CID 103570445

IUPAC4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole
SMILESCCn1cc(C2CCNC2Cc2ccccc2)cn1
InChIInChI=1S/C16H21N3/c1-2-19-12-14(11-18-19)15-8-9-17-16(15)10-13-6-4-3-5-7-13/h3-7,11-12,15-17H,2,8-10H2,1H3
InChIKeyOGRNWFFRVBUCMB-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.59
Rot. Bonds4

About 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole

4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole (PubChem CID 103570445) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole.

Molecular Properties

Compound Name4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole
PubChem CID103570445
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole
SMILESCCn1cc(C2CCNC2Cc2ccccc2)cn1
InChIInChI=1S/C16H21N3/c1-2-19-12-14(11-18-19)15-8-9-17-16(15)10-13-6-4-3-5-7-13/h3-7,11-12,15-17H,2,8-10H2,1H3
InChIKeyOGRNWFFRVBUCMB-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103573550
2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine
CID 79971324
2-benzyl-3-(3-chloro-4-fluorophenyl)pyrrolidine
CID 81165823
3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
CID 79321270
3-benzyl-1-(1-ethylpyrazol-4-yl)-1,4-diazepane
CID 64945318
2-ethyl-3-phenylpyrrolidine
CID 62354556
3-benzyl-2-ethylpyrrolidine
CID 4543797
3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine
CID 103570978
2-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
CID 62595255
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
5-(2-benzylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135004024
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole?
The IUPAC name of 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole (CID 103570445) is 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole.
What is the SMILES notation for 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole?
The canonical SMILES for 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole is CCn1cc(C2CCNC2Cc2ccccc2)cn1.
What is the InChIKey of 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole?
The InChIKey is OGRNWFFRVBUCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19-12-14(11-18-19)15-8-9-17-16(15)10-13-6-4-3-5-7-13/h3-7,11-12,15-17H,2,8-10H2,1H3.
What are the key properties of 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole?
4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole has a molecular weight of 255.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole is sourced from PubChem (CID 103570445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).