3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide

C13H23N7 — CID 123562785

IUPAC3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide
SMILESCN(C)CC/N=C(\N)C/C(N)=N/c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H23N7/c1-20(2)6-5-16-11(14)8-12(15)17-13-7-10(18-19-13)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H2,14,16)(H3,15,17,18,19)
InChIKeyPZMRJUHKGKZUIM-UHFFFAOYSA-N
MW277.38 g/mol
LogP0.58
Rot. Bonds7

About 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide

3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide (PubChem CID 123562785) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide.

Molecular Properties

Compound Name3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide
PubChem CID123562785
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC Name3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide
SMILESCN(C)CC/N=C(\N)C/C(N)=N/c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H23N7/c1-20(2)6-5-16-11(14)8-12(15)17-13-7-10(18-19-13)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H2,14,16)(H3,15,17,18,19)
InChIKeyPZMRJUHKGKZUIM-UHFFFAOYSA-N
XLogP0.58
TPSA108.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 50.58
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

3-(propan-2-yl)-1H-pyrazol-5-amine
CID 2769527
3-cyclopropyl-1H-pyrazol-5-amine
CID 2758014
3-(2-methylpropyl)-1H-pyrazol-5-amine
CID 23552428
3-(3-methylbutyl)-1H-pyrazol-5-amine
CID 33787852
3-(2-methylcyclopropyl)-1H-pyrazol-5-amine
CID 43115675
3-(cyclopropylmethyl)-1H-pyrazol-5-amine
CID 61562360
rac-5-[(1R,2R)-2-fluorocyclopropyl]-1H-pyrazol-3-amine
CID 86689818
3-(heptan-3-yl)-1H-pyrazol-5-amine
CID 43125592
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
3-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-5-amine
CID 66475759
5-(2-fluorocyclopropyl)-1H-pyrazol-3-amine
CID 89415735
5-((1S,2R)-2-Fluorocyclopropyl)-1H-pyrazol-3-amine
CID 89766053

Frequently Asked Questions

What is the IUPAC name of 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide?
The IUPAC name of 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide (CID 123562785) is 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide.
What is the SMILES notation for 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide?
The canonical SMILES for 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide is CN(C)CC/N=C(\N)C/C(N)=N/c1cc(C2CC2)[nH]n1.
What is the InChIKey of 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide?
The InChIKey is PZMRJUHKGKZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-20(2)6-5-16-11(14)8-12(15)17-13-7-10(18-19-13)9-3-4-9/h7,9H,3-6,8H2,1-2H3,(H2,14,16)(H3,15,17,18,19).
What are the key properties of 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide?
3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide has a molecular weight of 277.38 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide is sourced from PubChem (CID 123562785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).