N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide

C10H18N4 — CID 106043179

IUPACN'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide
SMILESCCC/C(N)=N\Cc1cnn(C)c1C
InChIInChI=1S/C10H18N4/c1-4-5-10(11)12-6-9-7-13-14(3)8(9)2/h7H,4-6H2,1-3H3,(H2,11,12)
InChIKeyIXPLOJKVEDJFHG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.39
Rot. Bonds4

About N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide

N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide (PubChem CID 106043179) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide.

Molecular Properties

Compound NameN'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide
PubChem CID106043179
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide
SMILESCCC/C(N)=N\Cc1cnn(C)c1C
InChIInChI=1S/C10H18N4/c1-4-5-10(11)12-6-9-7-13-14(3)8(9)2/h7H,4-6H2,1-3H3,(H2,11,12)
InChIKeyIXPLOJKVEDJFHG-UHFFFAOYSA-N
XLogP1.39
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide
CID 106043175
2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine
CID 103859760
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
4-(azidomethyl)-1,5-dimethylpyrazole
CID 150005972
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 114138993
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethylethane-1,2-diamine
CID 103102219

Frequently Asked Questions

What is the IUPAC name of N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide?
The IUPAC name of N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide (CID 106043179) is N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide.
What is the SMILES notation for N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide?
The canonical SMILES for N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide is CCC/C(N)=N\Cc1cnn(C)c1C.
What is the InChIKey of N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide?
The InChIKey is IXPLOJKVEDJFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-5-10(11)12-6-9-7-13-14(3)8(9)2/h7H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide?
N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide is sourced from PubChem (CID 106043179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).