4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine

C15H20N4O — CID 117433956

IUPAC4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(N2CCCC2)cc1-c1cnn(C)c1N
InChIInChI=1S/C15H20N4O/c1-18-15(16)13(10-17-18)12-9-11(5-6-14(12)20-2)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyZAHKCNHBNYIDNU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds3

About 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine

4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117433956) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117433956
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(N2CCCC2)cc1-c1cnn(C)c1N
InChIInChI=1S/C15H20N4O/c1-18-15(16)13(10-17-18)12-9-11(5-6-14(12)20-2)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyZAHKCNHBNYIDNU-UHFFFAOYSA-N
XLogP2.28
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxy-5-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
CID 117465938
3-[5-(azonan-1-yl)-2-methoxyphenyl]-4-methoxyaniline
CID 135254488
4-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117431595
4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117421303
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
4-(5-fluoro-2-piperidin-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117438509
4-[7-amino-3-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenol
CID 11604402
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117492733
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine (CID 117433956) is 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine is COc1ccc(N2CCCC2)cc1-c1cnn(C)c1N.
What is the InChIKey of 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is ZAHKCNHBNYIDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-15(16)13(10-17-18)12-9-11(5-6-14(12)20-2)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8,16H2,1-2H3.
What are the key properties of 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine?
4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 272.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117433956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).