3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine

C16H22N4O — CID 117462074

IUPAC3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(C)n2)cc1CN1CCCC1
InChIInChI=1S/C16H22N4O/c1-19-16(17)10-14(18-19)12-5-6-15(21-2)13(9-12)11-20-7-3-4-8-20/h5-6,9-10H,3-4,7-8,11,17H2,1-2H3
InChIKeyJPLQIJCATJDOCZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.27
Rot. Bonds4

About 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine

3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117462074) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117462074
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(C)n2)cc1CN1CCCC1
InChIInChI=1S/C16H22N4O/c1-19-16(17)10-14(18-19)12-5-6-15(21-2)13(9-12)11-20-7-3-4-8-20/h5-6,9-10H,3-4,7-8,11,17H2,1-2H3
InChIKeyJPLQIJCATJDOCZ-UHFFFAOYSA-N
XLogP2.27
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
5-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117465926
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]propan-2-amine
CID 117411192
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515878
4-methoxy-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130559478
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19623018
3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43646650
2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864257

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine (CID 117462074) is 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine is COc1ccc(-c2cc(N)n(C)n2)cc1CN1CCCC1.
What is the InChIKey of 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is JPLQIJCATJDOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-16(17)10-14(18-19)12-5-6-15(21-2)13(9-12)11-20-7-3-4-8-20/h5-6,9-10H,3-4,7-8,11,17H2,1-2H3.
What are the key properties of 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine?
3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117462074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).