2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline

C18H27N5O — CID 168838432

IUPAC2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
SMILESCOc1cc(N2CCN(C(C)C)CC2)c(-c2cnn(C)c2)cc1N
InChIInChI=1S/C18H27N5O/c1-13(2)22-5-7-23(8-6-22)17-10-18(24-4)16(19)9-15(17)14-11-20-21(3)12-14/h9-13H,5-8,19H2,1-4H3
InChIKeyRWEMINHOWBOWHN-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.21
Rot. Bonds4

About 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline

2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline (PubChem CID 168838432) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
PubChem CID168838432
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
SMILESCOc1cc(N2CCN(C(C)C)CC2)c(-c2cnn(C)c2)cc1N
InChIInChI=1S/C18H27N5O/c1-13(2)22-5-7-23(8-6-22)17-10-18(24-4)16(19)9-15(17)14-11-20-21(3)12-14/h9-13H,5-8,19H2,1-4H3
InChIKeyRWEMINHOWBOWHN-UHFFFAOYSA-N
XLogP2.21
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
CID 168838627
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)aniline
CID 166710949
2-methoxy-4-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
CID 168838663
2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 171118314
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)aniline
CID 166095449
4-[4-[N-[(Z)-2-(dimethylamino)-2-(methylideneamino)ethenyl]-C-methylcarbonimidoyl]piperazin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)aniline
CID 170258387
2-methoxy-4-(1-methylpyrazol-4-yl)-5-nitroaniline
CID 121280739
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 166711063
3-[4-[4-[[1-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 166095479
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(1,4-oxazepan-4-ylmethyl)aniline
CID 172765645
2-methoxy-5-(1-methylpyrazol-4-yl)-4-spiro[5.5]undecan-3-ylaniline
CID 170002022

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The IUPAC name of 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline (CID 168838432) is 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The canonical SMILES for 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline is COc1cc(N2CCN(C(C)C)CC2)c(-c2cnn(C)c2)cc1N.
What is the InChIKey of 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The InChIKey is RWEMINHOWBOWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13(2)22-5-7-23(8-6-22)17-10-18(24-4)16(19)9-15(17)14-11-20-21(3)12-14/h9-13H,5-8,19H2,1-4H3.
What are the key properties of 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline?
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline has a molecular weight of 329.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline is sourced from PubChem (CID 168838432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).