1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole

C18H25N3O — CID 11514934

IUPAC1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole
SMILESCn1nccc1C(OCCCN1CCCC1)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-20-17(10-11-19-20)18(16-8-3-2-4-9-16)22-15-7-14-21-12-5-6-13-21/h2-4,8-11,18H,5-7,12-15H2,1H3
InChIKeyKKVQDWSUFYZWJA-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.01
Rot. Bonds7

About 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole

1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole (PubChem CID 11514934) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole
PubChem CID11514934
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole
SMILESCn1nccc1C(OCCCN1CCCC1)c1ccccc1
InChIInChI=1S/C18H25N3O/c1-20-17(10-11-19-20)18(16-8-3-2-4-9-16)22-15-7-14-21-12-5-6-13-21/h2-4,8-11,18H,5-7,12-15H2,1H3
InChIKeyKKVQDWSUFYZWJA-UHFFFAOYSA-N
XLogP3.01
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride
CID 69346238
1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine
CID 11595069
1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 59575915
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[2-[(5-methyl-1-phenylpyrazol-4-yl)-phenylmethoxy]ethyl]piperidine
CID 10619494
3-[(4-chlorophenyl)-(3-pyrrolidin-1-ylpropoxy)methyl]-1-methylpyrazole
CID 11566183
N-[2-phenyl-2-(2-piperidin-1-ylethoxy)ethyl]propan-2-amine
CID 62458613
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 121429591
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
ethyl 3-[4-[3-[(4-fluorophenyl)-phenylmethoxy]propyl]piperazin-1-yl]propanoate;dihydrochloride
CID 70625738
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole?
The IUPAC name of 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole (CID 11514934) is 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole.
What is the SMILES notation for 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole?
The canonical SMILES for 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole is Cn1nccc1C(OCCCN1CCCC1)c1ccccc1.
What is the InChIKey of 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole?
The InChIKey is KKVQDWSUFYZWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20-17(10-11-19-20)18(16-8-3-2-4-9-16)22-15-7-14-21-12-5-6-13-21/h2-4,8-11,18H,5-7,12-15H2,1H3.
What are the key properties of 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole?
1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole has a molecular weight of 299.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole is sourced from PubChem (CID 11514934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).