1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole

C16H21N3O — CID 118690724

IUPAC1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole
SMILESCn1nc(OCc2ccccc2)cc1CN1CCCC1
InChIInChI=1S/C16H21N3O/c1-18-15(12-19-9-5-6-10-19)11-16(17-18)20-13-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3
InChIKeyUVXNUNLGAHMMPP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds5

About 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole

1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole (PubChem CID 118690724) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole
PubChem CID118690724
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole
SMILESCn1nc(OCc2ccccc2)cc1CN1CCCC1
InChIInChI=1S/C16H21N3O/c1-18-15(12-19-9-5-6-10-19)11-16(17-18)20-13-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3
InChIKeyUVXNUNLGAHMMPP-UHFFFAOYSA-N
XLogP2.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylmethoxy-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 13417334
5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 144757764
2-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
CID 171385071
1-benzylpyrrolidine;propane
CID 143692089
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-benzylazepane
CID 10954328
5-benzyl-6-methyl-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123703573
5-(1,3-dihydroisoindol-2-ylmethyl)-1-methylpyrazole-3-carboxylic acid
CID 117217117
1-benzylpiperidine;methanamine;N-methyl-3-phenylmethoxyaniline
CID 145071102
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
5-amino-7-phenylmethoxy-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,4-dihydro-1,6-naphthyridin-3-one
CID 58278167
4,6-dimethoxy-2-phenylmethoxypyrimidine
CID 19977712

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole?
The IUPAC name of 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole (CID 118690724) is 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole?
The canonical SMILES for 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole is Cn1nc(OCc2ccccc2)cc1CN1CCCC1.
What is the InChIKey of 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole?
The InChIKey is UVXNUNLGAHMMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-15(12-19-9-5-6-10-19)11-16(17-18)20-13-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3.
What are the key properties of 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole?
1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole has a molecular weight of 271.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylmethoxy-5-(pyrrolidin-1-ylmethyl)pyrazole is sourced from PubChem (CID 118690724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).