N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide

C15H24N6O — CID 123428307

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(CO)CC1
InChIInChI=1S/C15H24N6O/c16-13(18-15-7-12(19-20-15)11-1-2-11)8-14(17)21-5-3-10(9-22)4-6-21/h7,10-11,17,22H,1-6,8-9H2,(H3,16,18,19,20)/b17-14+
InChIKeyVFCGSCIQCUSIJA-SAPNQHFASA-N
MW304.40 g/mol
LogP1.35
Rot. Bonds5

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide (PubChem CID 123428307) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide
PubChem CID123428307
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(CO)CC1
InChIInChI=1S/C15H24N6O/c16-13(18-15-7-12(19-20-15)11-1-2-11)8-14(17)21-5-3-10(9-22)4-6-21/h7,10-11,17,22H,1-6,8-9H2,(H3,16,18,19,20)/b17-14+
InChIKeyVFCGSCIQCUSIJA-SAPNQHFASA-N
XLogP1.35
TPSA114.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.35
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'}

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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
5-[1-[2-(difluoromethoxy)-3,4-dihydropyridin-5-yl]piperidin-4-yl]-1H-pyrazol-3-amine
CID 162563637
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
3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123287687
3-(azetidin-1-yl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
CID 123297261
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propanimidamide
CID 123307887

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide (CID 123428307) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide is [H]/N=C(\C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(CO)CC1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide?
The InChIKey is VFCGSCIQCUSIJA-SAPNQHFASA-N. The full InChI is InChI=1S/C15H24N6O/c16-13(18-15-7-12(19-20-15)11-1-2-11)8-14(17)21-5-3-10(9-22)4-6-21/h7,10-11,17,22H,1-6,8-9H2,(H3,16,18,19,20)/b17-14+.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide has a molecular weight of 304.40 g/mol, XLogP of 1.35, 5 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-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide is sourced from PubChem (CID 123428307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).