N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide

C15H25N7O — CID 123538739

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCO)CC1
InChIInChI=1S/C15H25N7O/c16-13(18-15-9-12(19-20-15)11-1-2-11)10-14(17)22-5-3-21(4-6-22)7-8-23/h9,11,17,23H,1-8,10H2,(H3,16,18,19,20)/b17-14+
InChIKeyATFONRGCCODICZ-SAPNQHFASA-N
MW319.41 g/mol
LogP0.25
Rot. Bonds6

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide (PubChem CID 123538739) has the molecular formula C15H25N7O and a molecular weight of 319.41 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide
PubChem CID123538739
Molecular FormulaC15H25N7O
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCO)CC1
InChIInChI=1S/C15H25N7O/c16-13(18-15-9-12(19-20-15)11-1-2-11)10-14(17)22-5-3-21(4-6-22)7-8-23/h9,11,17,23H,1-8,10H2,(H3,16,18,19,20)/b17-14+
InChIKeyATFONRGCCODICZ-SAPNQHFASA-N
XLogP0.25
TPSA117.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
CID 123691679
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123827341
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123884886
1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4,4,4-trifluorobutan-2-ol
CID 137861419
4-{2-[4-(3-cyclopropyl-1H-pyrazol-5-yl)piperazin-1-yl]ethyl}-3-methylmorpholine
CID 137876403
5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 122509120
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
CID 123165666
1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N,3-N-diethylpropanediimidamide
CID 123192880
N'-(5-cyclobutyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
CID 123204847
1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide
CID 123207635
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
CID 123216980
3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-(3-morpholin-4-ylpropyl)propanediimidamide
CID 123239107

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide (CID 123538739) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCO)CC1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide?
The InChIKey is ATFONRGCCODICZ-SAPNQHFASA-N. The full InChI is InChI=1S/C15H25N7O/c16-13(18-15-9-12(19-20-15)11-1-2-11)10-14(17)22-5-3-21(4-6-22)7-8-23/h9,11,17,23H,1-8,10H2,(H3,16,18,19,20)/b17-14+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide has a molecular weight of 319.41 g/mol, XLogP of 0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide is sourced from PubChem (CID 123538739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).