N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide

C14H23N7 — CID 123393145

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCNCC1C
InChIInChI=1S/C14H23N7/c1-9-8-17-4-5-21(9)13(16)7-12(15)18-14-6-11(19-20-14)10-2-3-10/h6,9-10,16-17H,2-5,7-8H2,1H3,(H3,15,18,19,20)/b16-13+
InChIKeyLBGFDKNLASQASF-DTQAZKPQSA-N
MW289.39 g/mol
LogP0.94
Rot. Bonds4

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide (PubChem CID 123393145) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide
PubChem CID123393145
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCNCC1C
InChIInChI=1S/C14H23N7/c1-9-8-17-4-5-21(9)13(16)7-12(15)18-14-6-11(19-20-14)10-2-3-10/h6,9-10,16-17H,2-5,7-8H2,1H3,(H3,15,18,19,20)/b16-13+
InChIKeyLBGFDKNLASQASF-DTQAZKPQSA-N
XLogP0.94
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide (CID 123393145) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCNCC1C.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide?
The InChIKey is LBGFDKNLASQASF-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H23N7/c1-9-8-17-4-5-21(9)13(16)7-12(15)18-14-6-11(19-20-14)10-2-3-10/h6,9-10,16-17H,2-5,7-8H2,1H3,(H3,15,18,19,20)/b16-13+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide has a molecular weight of 289.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 123393145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).