N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide

C18H25N5O — CID 74231937

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide
SMILESCN1CCN(CCCNC(=O)c2cccc(-c3cn[nH]c3)c2)CC1
InChIInChI=1S/C18H25N5O/c1-22-8-10-23(11-9-22)7-3-6-19-18(24)16-5-2-4-15(12-16)17-13-20-21-14-17/h2,4-5,12-14H,3,6-11H2,1H3,(H,19,24)(H,20,21)
InChIKeyLBUMMXVRVQQFNG-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.44
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide

N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 74231937) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide
PubChem CID74231937
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide
SMILESCN1CCN(CCCNC(=O)c2cccc(-c3cn[nH]c3)c2)CC1
InChIInChI=1S/C18H25N5O/c1-22-8-10-23(11-9-22)7-3-6-19-18(24)16-5-2-4-15(12-16)17-13-20-21-14-17/h2,4-5,12-14H,3,6-11H2,1H3,(H,19,24)(H,20,21)
InChIKeyLBUMMXVRVQQFNG-UHFFFAOYSA-N
XLogP1.44
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide (CID 74231937) is N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide is CN1CCN(CCCNC(=O)c2cccc(-c3cn[nH]c3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is LBUMMXVRVQQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-8-10-23(11-9-22)7-3-6-19-18(24)16-5-2-4-15(12-16)17-13-20-21-14-17/h2,4-5,12-14H,3,6-11H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 74231937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).