3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

C13H23N7 — CID 123466252

IUPAC3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCN(CC)CC1
InChIInChI=1S/C13H23N7/c1-3-19-4-6-20(7-5-19)12(15)9-11(14)16-13-8-10(2)17-18-13/h8,15H,3-7,9H2,1-2H3,(H3,14,16,17,18)/b15-12+
InChIKeyXTXREJUCNMTGHI-NTCAYCPXSA-N
MW277.38 g/mol
LogP0.71
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 123466252) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID123466252
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC Name3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCN(CC)CC1
InChIInChI=1S/C13H23N7/c1-3-19-4-6-20(7-5-19)12(15)9-11(14)16-13-8-10(2)17-18-13/h8,15H,3-7,9H2,1-2H3,(H3,14,16,17,18)/b15-12+
InChIKeyXTXREJUCNMTGHI-NTCAYCPXSA-N
XLogP0.71
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 50.71
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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Related Compounds

1-(3-methyl-1H-pyrazol-5-yl)piperidin-4-amine
CID 75480354
1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 62548256
1-(3-methyl-1H-pyrazol-5-yl)piperazine dihydrochloride
CID 126809354
1-Cyclobutyl-4-(5-methyl-1H-pyrazol-3-YL)piperazine
CID 99842589
3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123255025
3-(4-fluoropiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123441939
3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123458499
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123693705
3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123856406
3-(4-fluoropiperidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123901834
N-ethyl-N-[(5-methyl-1H-pyrazol-3-yl)diazenyl]ethanamine
CID 135440283
(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-yldiazene
CID 135483585

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (CID 123466252) is 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C)[nH]n1)N1CCN(CC)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is XTXREJUCNMTGHI-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H23N7/c1-3-19-4-6-20(7-5-19)12(15)9-11(14)16-13-8-10(2)17-18-13/h8,15H,3-7,9H2,1-2H3,(H3,14,16,17,18)/b15-12+.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 277.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 123466252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).