N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C24H37N7 — CID 111742705

IUPACN'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCCN1CCN(C)CC1c1ccccc1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C24H37N7/c1-25-24(31-13-10-21(18-31)22-16-27-29(3)17-22)26-11-7-12-30-15-14-28(2)19-23(30)20-8-5-4-6-9-20/h4-6,8-9,16-17,21,23H,7,10-15,18-19H2,1-3H3,(H,25,26)
InChIKeyDUXZWFKMXOYTMD-UHFFFAOYSA-N
MW423.61 g/mol
LogP2.16
Rot. Bonds6

About N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 111742705) has the molecular formula C24H37N7 and a molecular weight of 423.61 g/mol. Its IUPAC name is N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID111742705
Molecular FormulaC24H37N7
Molecular Weight423.61 g/mol
Exact Mass423.31
IUPAC NameN'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCCN1CCN(C)CC1c1ccccc1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C24H37N7/c1-25-24(31-13-10-21(18-31)22-16-27-29(3)17-22)26-11-7-12-30-15-14-28(2)19-23(30)20-8-5-4-6-9-20/h4-6,8-9,16-17,21,23H,7,10-15,18-19H2,1-3H3,(H,25,26)
InChIKeyDUXZWFKMXOYTMD-UHFFFAOYSA-N
XLogP2.16
TPSA51.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111211763
N'-methyl-N-[4-(N-methylanilino)butyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742735
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743374
N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742621
N'-methyl-3-(1-methylpyrazol-4-yl)-N-pentylpyrrolidine-1-carboximidamide
CID 111743381
N-[3-(dimethylamino)propyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743032
N-[2-(benzenesulfonyl)ethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740537
N'-methyl-3-(1-methylpyrazol-4-yl)-N-nonylpyrrolidine-1-carboximidamide;hydroiodide
CID 111742988
N-hexyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740555
N-[4-(4-benzylpiperazin-1-yl)butyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743356
N-(2-cyclopentylethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143744
N-(2-methoxyethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742275

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 111742705) is N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is C/N=C(/NCCCN1CCN(C)CC1c1ccccc1)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is DUXZWFKMXOYTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7/c1-25-24(31-13-10-21(18-31)22-16-27-29(3)17-22)26-11-7-12-30-15-14-28(2)19-23(30)20-8-5-4-6-9-20/h4-6,8-9,16-17,21,23H,7,10-15,18-19H2,1-3H3,(H,25,26).
What are the key properties of N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 423.61 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111742705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).