N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide

C19H32N8O — CID 123307887

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H32N8O/c20-17(22-19-13-16(23-24-19)15-1-2-15)14-18(21)27-7-5-25(6-8-27)3-4-26-9-11-28-12-10-26/h13,15,21H,1-12,14H2,(H3,20,22,23,24)/b21-18+
InChIKeyZYZFPNOGEFOREF-DYTRJAOYSA-N
MW388.52 g/mol
LogP0.59
Rot. Bonds7

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide (PubChem CID 123307887) has the molecular formula C19H32N8O and a molecular weight of 388.52 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide
PubChem CID123307887
Molecular FormulaC19H32N8O
Molecular Weight388.52 g/mol
Exact Mass388.27
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H32N8O/c20-17(22-19-13-16(23-24-19)15-1-2-15)14-18(21)27-7-5-25(6-8-27)3-4-26-9-11-28-12-10-26/h13,15,21H,1-12,14H2,(H3,20,22,23,24)/b21-18+
InChIKeyZYZFPNOGEFOREF-DYTRJAOYSA-N
XLogP0.59
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(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
4-{2-[4-(3-cyclopropyl-1H-pyrazol-5-yl)piperazin-1-yl]ethyl}-3-methylmorpholine
CID 137876403
1-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 122509008
5-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 122509120
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
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-prop-2-enylpiperazin-1-yl)propanimidamide
CID 123372058
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(2-methylpiperazin-1-yl)propanimidamide
CID 123393145
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide
CID 123428307
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
CID 123484093
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123538739

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide (CID 123307887) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide?
The InChIKey is ZYZFPNOGEFOREF-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H32N8O/c20-17(22-19-13-16(23-24-19)15-1-2-15)14-18(21)27-7-5-25(6-8-27)3-4-26-9-11-28-12-10-26/h13,15,21H,1-12,14H2,(H3,20,22,23,24)/b21-18+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide has a molecular weight of 388.52 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 123307887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).