3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide

C14H25N7 — CID 123353479

IUPAC3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(CCC)[nH]n1)N1CCN(C)CC1
InChIInChI=1S/C14H25N7/c1-3-4-11-9-14(19-18-11)17-12(15)10-13(16)21-7-5-20(2)6-8-21/h9,16H,3-8,10H2,1-2H3,(H3,15,17,18,19)/b16-13+
InChIKeyCKTJRXXFGXKOMQ-DTQAZKPQSA-N
MW291.40 g/mol
LogP0.97
Rot. Bonds5

About 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide

3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 123353479) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound Name3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID123353479
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(CCC)[nH]n1)N1CCN(C)CC1
InChIInChI=1S/C14H25N7/c1-3-4-11-9-14(19-18-11)17-12(15)10-13(16)21-7-5-20(2)6-8-21/h9,16H,3-8,10H2,1-2H3,(H3,15,17,18,19)/b16-13+
InChIKeyCKTJRXXFGXKOMQ-DTQAZKPQSA-N
XLogP0.97
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide (CID 123353479) is 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(CCC)[nH]n1)N1CCN(C)CC1.
What is the InChIKey of 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is CKTJRXXFGXKOMQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H25N7/c1-3-4-11-9-14(19-18-11)17-12(15)10-13(16)21-7-5-20(2)6-8-21/h9,16H,3-8,10H2,1-2H3,(H3,15,17,18,19)/b16-13+.
What are the key properties of 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide?
3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 291.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-(4-methylpiperazin-1-yl)-N'-(5-propyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 123353479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).