1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol

C15H22N6O2 — CID 146368592

IUPAC1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol
SMILESCOc1cc(N2CCN(C)CC2)c(N)cc1Nn1cc(O)cn1
InChIInChI=1S/C15H22N6O2/c1-19-3-5-20(6-4-19)14-8-15(23-2)13(7-12(14)16)18-21-10-11(22)9-17-21/h7-10,18,22H,3-6,16H2,1-2H3
InChIKeyNFNLMHHTAFDOAA-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.81
Rot. Bonds4

About 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol

1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol (PubChem CID 146368592) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol.

Molecular Properties

Compound Name1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol
PubChem CID146368592
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol
SMILESCOc1cc(N2CCN(C)CC2)c(N)cc1Nn1cc(O)cn1
InChIInChI=1S/C15H22N6O2/c1-19-3-5-20(6-4-19)14-8-15(23-2)13(7-12(14)16)18-21-10-11(22)9-17-21/h7-10,18,22H,3-6,16H2,1-2H3
InChIKeyNFNLMHHTAFDOAA-UHFFFAOYSA-N
XLogP0.81
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-6-(4-methylpiperazin-1-yl)-3-N-[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-2-yl]benzene-1,3-diamine
CID 118351789
tert-butyl N-[5-amino-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 89182828
3-N-[5-chloro-4-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine
CID 144945580
tert-butyl N-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]carbamate;tert-butyl N-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-(prop-2-enoylamino)phenyl]carbamate
CID 159739064
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
5-amino-4-methoxy-2-(4-methylpiperazin-1-yl)benzonitrile
CID 166710917
3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine
CID 73292722
5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline
CID 143061730
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
CID 174145399
CID 174145399
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol?
The IUPAC name of 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol (CID 146368592) is 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol.
What is the SMILES notation for 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol?
The canonical SMILES for 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol is COc1cc(N2CCN(C)CC2)c(N)cc1Nn1cc(O)cn1.
What is the InChIKey of 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol?
The InChIKey is NFNLMHHTAFDOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-19-3-5-20(6-4-19)14-8-15(23-2)13(7-12(14)16)18-21-10-11(22)9-17-21/h7-10,18,22H,3-6,16H2,1-2H3.
What are the key properties of 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol?
1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol has a molecular weight of 318.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrazol-4-ol is sourced from PubChem (CID 146368592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).