5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline

C26H34N6 — CID 143567752

IUPAC5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline
SMILES[H]/N=C(\CC)c1ccc(-c2ccnn2-c2ccc(N3CCN(C)CC3)cc2)cc1NC(C)C
InChIInChI=1S/C26H34N6/c1-5-24(27)23-11-6-20(18-25(23)29-19(2)3)26-12-13-28-32(26)22-9-7-21(8-10-22)31-16-14-30(4)15-17-31/h6-13,18-19,27,29H,5,14-17H2,1-4H3/b27-24+
InChIKeyWEXCMPXWHQSZEY-SOYKGTTHSA-N
MW430.60 g/mol
LogP4.89
Rot. Bonds7

About 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline

5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline (PubChem CID 143567752) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline
PubChem CID143567752
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC Name5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline
SMILES[H]/N=C(\CC)c1ccc(-c2ccnn2-c2ccc(N3CCN(C)CC3)cc2)cc1NC(C)C
InChIInChI=1S/C26H34N6/c1-5-24(27)23-11-6-20(18-25(23)29-19(2)3)26-12-13-28-32(26)22-9-7-21(8-10-22)31-16-14-30(4)15-17-31/h6-13,18-19,27,29H,5,14-17H2,1-4H3/b27-24+
InChIKeyWEXCMPXWHQSZEY-SOYKGTTHSA-N
XLogP4.89
TPSA60.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline?
The IUPAC name of 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline (CID 143567752) is 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline.
What is the SMILES notation for 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline?
The canonical SMILES for 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline is [H]/N=C(\CC)c1ccc(-c2ccnn2-c2ccc(N3CCN(C)CC3)cc2)cc1NC(C)C.
What is the InChIKey of 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline?
The InChIKey is WEXCMPXWHQSZEY-SOYKGTTHSA-N. The full InChI is InChI=1S/C26H34N6/c1-5-24(27)23-11-6-20(18-25(23)29-19(2)3)26-12-13-28-32(26)22-9-7-21(8-10-22)31-16-14-30(4)15-17-31/h6-13,18-19,27,29H,5,14-17H2,1-4H3/b27-24+.
What are the key properties of 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline?
5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline has a molecular weight of 430.60 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-3-yl]-2-propanimidoyl-N-propan-2-ylaniline is sourced from PubChem (CID 143567752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).