1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole

C16H21N3O — CID 114796055

IUPAC1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole
SMILESc1ccc(-n2ccc(COCCC3CCNC3)n2)cc1
InChIInChI=1S/C16H21N3O/c1-2-4-16(5-3-1)19-10-7-15(18-19)13-20-11-8-14-6-9-17-12-14/h1-5,7,10,14,17H,6,8-9,11-13H2
InChIKeyLCFULZPXIWTLQG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds6

About 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole

1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole (PubChem CID 114796055) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole.

Molecular Properties

Compound Name1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole
PubChem CID114796055
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole
SMILESc1ccc(-n2ccc(COCCC3CCNC3)n2)cc1
InChIInChI=1S/C16H21N3O/c1-2-4-16(5-3-1)19-10-7-15(18-19)13-20-11-8-14-6-9-17-12-14/h1-5,7,10,14,17H,6,8-9,11-13H2
InChIKeyLCFULZPXIWTLQG-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
CID 150930159
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
1-methyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 82870045
1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 64783422
2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole
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N-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913002
2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one
CID 136767078
2-(2-pyrrolidin-3-ylethoxymethyl)-1,3-benzothiazole
CID 114795968
N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 63637300
2-(2-piperidin-3-ylethoxymethyl)pyrazine
CID 71636598
4-(2-pyrrolidin-3-ylethoxy)pyrazolo[1,5-a]pyrazine
CID 114796406
2-(pyrrolidin-3-ylmethoxymethyl)quinoline
CID 46941556

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole?
The IUPAC name of 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole (CID 114796055) is 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole.
What is the SMILES notation for 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole?
The canonical SMILES for 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole is c1ccc(-n2ccc(COCCC3CCNC3)n2)cc1.
What is the InChIKey of 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole?
The InChIKey is LCFULZPXIWTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-4-16(5-3-1)19-10-7-15(18-19)13-20-11-8-14-6-9-17-12-14/h1-5,7,10,14,17H,6,8-9,11-13H2.
What are the key properties of 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole?
1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole has a molecular weight of 271.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole is sourced from PubChem (CID 114796055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).