2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline

C19H27N5O — CID 168838627

IUPAC2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
SMILESCOc1cc(N2CCN(C3(C)CC3)CC2)c(-c2cnn(C)c2)cc1N
InChIInChI=1S/C19H27N5O/c1-19(4-5-19)24-8-6-23(7-9-24)17-11-18(25-3)16(20)10-15(17)14-12-21-22(2)13-14/h10-13H,4-9,20H2,1-3H3
InChIKeyJZMKTVKUHVZFQK-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.35
Rot. Bonds4

About 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline

2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline (PubChem CID 168838627) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
PubChem CID168838627
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
SMILESCOc1cc(N2CCN(C3(C)CC3)CC2)c(-c2cnn(C)c2)cc1N
InChIInChI=1S/C19H27N5O/c1-19(4-5-19)24-8-6-23(7-9-24)17-11-18(25-3)16(20)10-15(17)14-12-21-22(2)13-14/h10-13H,4-9,20H2,1-3H3
InChIKeyJZMKTVKUHVZFQK-UHFFFAOYSA-N
XLogP2.35
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.35
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-5-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 168838432
2-methoxy-5-(1-methylpyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)aniline
CID 166710949
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-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
CID 168838663
2-methoxy-5-(1-methylpyrazol-4-yl)-4-spiro[5.5]undecan-3-ylaniline
CID 170002022
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
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
5-[4-[[3-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-6-methoxyisoindole-1,3-dione
CID 171474583
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
1-[6-[4-[[(3R)-1-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]piperazin-1-yl]-5-fluoro-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178129541

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline?
The IUPAC name of 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline (CID 168838627) is 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline.
What is the SMILES notation for 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline?
The canonical SMILES for 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline is COc1cc(N2CCN(C3(C)CC3)CC2)c(-c2cnn(C)c2)cc1N.
What is the InChIKey of 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline?
The InChIKey is JZMKTVKUHVZFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(4-5-19)24-8-6-23(7-9-24)17-11-18(25-3)16(20)10-15(17)14-12-21-22(2)13-14/h10-13H,4-9,20H2,1-3H3.
What are the key properties of 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline?
2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline has a molecular weight of 341.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-(1-methylcyclopropyl)piperazin-1-yl]-5-(1-methylpyrazol-4-yl)aniline is sourced from PubChem (CID 168838627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).