N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide

C10H18N4 — CID 13469998

IUPACN'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H18N4/c1-10(2,3)8-6-9(13-12-8)11-7-14(4)5/h6-7H,1-5H3,(H,12,13)/b11-7+
InChIKeyGHJCJEOGBFNHIL-YRNVUSSQSA-N
MW194.28 g/mol
LogP1.93
Rot. Bonds2

About N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide

N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide (PubChem CID 13469998) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide
PubChem CID13469998
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H18N4/c1-10(2,3)8-6-9(13-12-8)11-7-14(4)5/h6-7H,1-5H3,(H,12,13)/b11-7+
InChIKeyGHJCJEOGBFNHIL-YRNVUSSQSA-N
XLogP1.93
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide (CID 13469998) is N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide?
The InChIKey is GHJCJEOGBFNHIL-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,3)8-6-9(13-12-8)11-7-14(4)5/h6-7H,1-5H3,(H,12,13)/b11-7+.
What are the key properties of N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide?
N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-1H-pyrazol-3-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13469998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).