N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide

C11H20N4 — CID 112672029

IUPACN'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide
SMILESCCc1nn(C)cc1C/N=C(/N)C(C)C
InChIInChI=1S/C11H20N4/c1-5-10-9(7-15(4)14-10)6-13-11(12)8(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13)
InChIKeyYLJPDBFDMINYJV-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.50
Rot. Bonds4

About N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide

N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide (PubChem CID 112672029) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide
PubChem CID112672029
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide
SMILESCCc1nn(C)cc1C/N=C(/N)C(C)C
InChIInChI=1S/C11H20N4/c1-5-10-9(7-15(4)14-10)6-13-11(12)8(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13)
InChIKeyYLJPDBFDMINYJV-UHFFFAOYSA-N
XLogP1.50
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.50
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

3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 112670019
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
CID 112669727
(3Z)-3-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 112671821
methyl N-cyano-N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]carbamimidothioate
CID 112669714
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
CID 115991428
1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
CID 112669719
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 103955907
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
2-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 110051686
(4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949279

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide?
The IUPAC name of N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide (CID 112672029) is N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide?
The canonical SMILES for N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide is CCc1nn(C)cc1C/N=C(/N)C(C)C.
What is the InChIKey of N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide?
The InChIKey is YLJPDBFDMINYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-10-9(7-15(4)14-10)6-13-11(12)8(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide?
N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide has a molecular weight of 208.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide is sourced from PubChem (CID 112672029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).