N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide

C9H16N4 — CID 66643263

IUPACN,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide
SMILESCC(C)c1cc(/N=C/N(C)C)n[nH]1
InChIInChI=1S/C9H16N4/c1-7(2)8-5-9(12-11-8)10-6-13(3)4/h5-7H,1-4H3,(H,11,12)/b10-6+
InChIKeyTYWIGLWQXNWXFK-UXBLZVDNSA-N
MW180.25 g/mol
LogP1.75
Rot. Bonds3

About N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide

N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide (PubChem CID 66643263) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide
PubChem CID66643263
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide
SMILESCC(C)c1cc(/N=C/N(C)C)n[nH]1
InChIInChI=1S/C9H16N4/c1-7(2)8-5-9(12-11-8)10-6-13(3)4/h5-7H,1-4H3,(H,11,12)/b10-6+
InChIKeyTYWIGLWQXNWXFK-UXBLZVDNSA-N
XLogP1.75
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.75
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,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide (CID 66643263) is N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide is CC(C)c1cc(/N=C/N(C)C)n[nH]1.
What is the InChIKey of N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide?
The InChIKey is TYWIGLWQXNWXFK-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)8-5-9(12-11-8)10-6-13(3)4/h5-7H,1-4H3,(H,11,12)/b10-6+.
What are the key properties of N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide?
N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide has a molecular weight of 180.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(5-propan-2-yl-1H-pyrazol-3-yl)methanimidamide is sourced from PubChem (CID 66643263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).