N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide

C9H18N6 — CID 170756457

IUPACN,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide
SMILESCC(C)c1cnn(C/C(=N/N)N(C)N)c1
InChIInChI=1S/C9H18N6/c1-7(2)8-4-12-15(5-8)6-9(13-10)14(3)11/h4-5,7H,6,10-11H2,1-3H3/b13-9-
InChIKeyPQOPELIYHGNDTP-LCYFTJDESA-N
MW210.28 g/mol
LogP0.08
Rot. Bonds3

About N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide

N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide (PubChem CID 170756457) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide.

Molecular Properties

Compound NameN,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide
PubChem CID170756457
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC NameN,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide
SMILESCC(C)c1cnn(C/C(=N/N)N(C)N)c1
InChIInChI=1S/C9H18N6/c1-7(2)8-4-12-15(5-8)6-9(13-10)14(3)11/h4-5,7H,6,10-11H2,1-3H3/b13-9-
InChIKeyPQOPELIYHGNDTP-LCYFTJDESA-N
XLogP0.08
TPSA85.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine
CID 59186257
methyl 2-(4-propan-2-ylpyrazol-1-yl)acetate
CID 153333099
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 170756515
2-amino-2-methyl-3-(4-propan-2-ylpyrazol-1-yl)propanamide
CID 165475013
(2R)-1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
CID 118259045
ethane;1-(2-methylsulfonylethyl)-4-propan-2-ylpyrazole
CID 176666040
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
2-amino-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanol
CID 82407041
1-but-3-ynyl-4-propan-2-ylpyrazole
CID 88570779
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
dihydroxy-methyl-(4-propan-2-ylpyrazol-1-yl)-λ4-sulfane
CID 155742325

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide?
The IUPAC name of N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide (CID 170756457) is N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide.
What is the SMILES notation for N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide?
The canonical SMILES for N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide is CC(C)c1cnn(C/C(=N/N)N(C)N)c1.
What is the InChIKey of N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide?
The InChIKey is PQOPELIYHGNDTP-LCYFTJDESA-N. The full InChI is InChI=1S/C9H18N6/c1-7(2)8-4-12-15(5-8)6-9(13-10)14(3)11/h4-5,7H,6,10-11H2,1-3H3/b13-9-.
What are the key properties of N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide?
N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide has a molecular weight of 210.28 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-N-methyl-2-(4-propan-2-ylpyrazol-1-yl)ethanimidamide is sourced from PubChem (CID 170756457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).