2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen

C20H32N6O — CID 144694407

IUPAC2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen
SMILES[H]/N=C(/c1cc(OC(C)C)ccc1N)c1cc(N2CCN(CC)CC2)nn1C.[H][H]
InChIInChI=1S/C20H30N6O.H2/c1-5-25-8-10-26(11-9-25)19-13-18(24(4)23-19)20(22)16-12-15(27-14(2)3)6-7-17(16)21;/h6-7,12-14,22H,5,8-11,21H2,1-4H3;1H/b22-20-;
InChIKeyKXYNVBZFGYTIOC-KGYDJYTLSA-N
MW372.52 g/mol
LogP2.59
Rot. Bonds6

About 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen

2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen (PubChem CID 144694407) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen.

Molecular Properties

Compound Name2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen
PubChem CID144694407
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen
SMILES[H]/N=C(/c1cc(OC(C)C)ccc1N)c1cc(N2CCN(CC)CC2)nn1C.[H][H]
InChIInChI=1S/C20H30N6O.H2/c1-5-25-8-10-26(11-9-25)19-13-18(24(4)23-19)20(22)16-12-15(27-14(2)3)6-7-17(16)21;/h6-7,12-14,22H,5,8-11,21H2,1-4H3;1H/b22-20-;
InChIKeyKXYNVBZFGYTIOC-KGYDJYTLSA-N
XLogP2.59
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;molecular hydrogen;4-propan-2-yloxy-2-(3-thiomorpholin-4-yl-1H-pyrazole-5-carboximidoyl)aniline;hydrate
CID 144697179
molecular hydrogen;4-propan-2-yloxy-2-(2-thiomorpholin-4-ylpyridine-4-carboximidoyl)aniline
CID 144697556
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline
CID 144694333
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
(NZ)-N-[1-[4-[4-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]piperazin-1-yl]-1-iminopropan-2-ylidene]hydroxylamine
CID 144697636
(3R)-1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694465
5-[4-amino-3-(1-methyl-3-morpholin-4-ylpyrazole-5-carboximidoyl)phenyl]-2-imino-N-methylpyridin-1-amine;molecular hydrogen
CID 144694758
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-1-methylpyrazole-5-carboximidoyl]aniline
CID 144694687
2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 130372406
2-[4-(4-ethylpiperazin-1-yl)-1,4-dihydropyrimidine-6-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 130414126

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen?
The IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen (CID 144694407) is 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen.
What is the SMILES notation for 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen?
The canonical SMILES for 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen is [H]/N=C(/c1cc(OC(C)C)ccc1N)c1cc(N2CCN(CC)CC2)nn1C.[H][H].
What is the InChIKey of 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen?
The InChIKey is KXYNVBZFGYTIOC-KGYDJYTLSA-N. The full InChI is InChI=1S/C20H30N6O.H2/c1-5-25-8-10-26(11-9-25)19-13-18(24(4)23-19)20(22)16-12-15(27-14(2)3)6-7-17(16)21;/h6-7,12-14,22H,5,8-11,21H2,1-4H3;1H/b22-20-;.
What are the key properties of 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen?
2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen has a molecular weight of 372.52 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen is sourced from PubChem (CID 144694407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).