N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide

C10H18N4 — CID 106043175

IUPACN'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide
SMILESCc1c(C/N=C(/N)C(C)C)cnn1C
InChIInChI=1S/C10H18N4/c1-7(2)10(11)12-5-9-6-13-14(4)8(9)3/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyJFPGWJLOUQOALT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.24
Rot. Bonds3

About N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide

N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide (PubChem CID 106043175) 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]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide
PubChem CID106043175
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide
SMILESCc1c(C/N=C(/N)C(C)C)cnn1C
InChIInChI=1S/C10H18N4/c1-7(2)10(11)12-5-9-6-13-14(4)8(9)3/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyJFPGWJLOUQOALT-UHFFFAOYSA-N
XLogP1.24
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.24
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]butanimidamide
CID 106043179
2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine
CID 103859760
4-(azidomethyl)-1,5-dimethylpyrazole
CID 150005972
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 106033812
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
methyl 4-(1,5-dimethylpyrazol-4-yl)-2-methylbutanoate
CID 146474722
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 79596541
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225

Frequently Asked Questions

What is the IUPAC name of N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide?
The IUPAC name of N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide (CID 106043175) is N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide is Cc1c(C/N=C(/N)C(C)C)cnn1C.
What is the InChIKey of N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide?
The InChIKey is JFPGWJLOUQOALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)10(11)12-5-9-6-13-14(4)8(9)3/h6-7H,5H2,1-4H3,(H2,11,12).
What are the key properties of N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide?
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.24, 3 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]-2-methylpropanimidamide is sourced from PubChem (CID 106043175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).