N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide

C16H22N4 — CID 7131187

IUPACN'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide
SMILESCC(C)/N=C(/Nc1ccnn1C(C)C)c1ccccc1
InChIInChI=1S/C16H22N4/c1-12(2)18-16(14-8-6-5-7-9-14)19-15-10-11-17-20(15)13(3)4/h5-13H,1-4H3,(H,18,19)
InChIKeyFSICAALNTQUDBH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.73
Rot. Bonds4

About N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide

N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide (PubChem CID 7131187) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide
PubChem CID7131187
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide
SMILESCC(C)/N=C(/Nc1ccnn1C(C)C)c1ccccc1
InChIInChI=1S/C16H22N4/c1-12(2)18-16(14-8-6-5-7-9-14)19-15-10-11-17-20(15)13(3)4/h5-13H,1-4H3,(H,18,19)
InChIKeyFSICAALNTQUDBH-UHFFFAOYSA-N
XLogP3.73
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide (CID 7131187) is N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide is CC(C)/N=C(/Nc1ccnn1C(C)C)c1ccccc1.
What is the InChIKey of N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide?
The InChIKey is FSICAALNTQUDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)18-16(14-8-6-5-7-9-14)19-15-10-11-17-20(15)13(3)4/h5-13H,1-4H3,(H,18,19).
What are the key properties of N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide?
N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide has a molecular weight of 270.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 7131187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).