N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide

C20H30N6 — CID 91377234

IUPACN',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)Cc1cc(-c2ccccc2)n[nH]1)N1CCN(C)CC1
InChIInChI=1S/C20H30N6/c1-16(15-22-20(21-2)26-11-9-25(3)10-12-26)13-18-14-19(24-23-18)17-7-5-4-6-8-17/h4-8,14,16H,9-13,15H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyQOPMVABXGOQDNJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.08
Rot. Bonds5

About N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide

N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide (PubChem CID 91377234) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide
PubChem CID91377234
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC NameN',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)Cc1cc(-c2ccccc2)n[nH]1)N1CCN(C)CC1
InChIInChI=1S/C20H30N6/c1-16(15-22-20(21-2)26-11-9-25(3)10-12-26)13-18-14-19(24-23-18)17-7-5-4-6-8-17/h4-8,14,16H,9-13,15H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyQOPMVABXGOQDNJ-UHFFFAOYSA-N
XLogP2.08
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide (CID 91377234) is N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide is C/N=C(\NCC(C)Cc1cc(-c2ccccc2)n[nH]1)N1CCN(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide?
The InChIKey is QOPMVABXGOQDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-16(15-22-20(21-2)26-11-9-25(3)10-12-26)13-18-14-19(24-23-18)17-7-5-4-6-8-17/h4-8,14,16H,9-13,15H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide?
N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide has a molecular weight of 354.50 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[2-methyl-3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperazine-1-carboximidamide is sourced from PubChem (CID 91377234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).