N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine

C9H16N4 — CID 166865325

IUPACN-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine
SMILESC/N=C(/c1cn[nH]c1NC)C(C)C
InChIInChI=1S/C9H16N4/c1-6(2)8(10-3)7-5-12-13-9(7)11-4/h5-6H,1-4H3,(H2,11,12,13)/b10-8+
InChIKeyUPROYJRTSDNYED-CSKARUKUSA-N
MW180.25 g/mol
LogP1.53
Rot. Bonds3

About N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine

N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine (PubChem CID 166865325) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine
PubChem CID166865325
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine
SMILESC/N=C(/c1cn[nH]c1NC)C(C)C
InChIInChI=1S/C9H16N4/c1-6(2)8(10-3)7-5-12-13-9(7)11-4/h5-6H,1-4H3,(H2,11,12,13)/b10-8+
InChIKeyUPROYJRTSDNYED-CSKARUKUSA-N
XLogP1.53
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine?
The IUPAC name of N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine (CID 166865325) is N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine is C/N=C(/c1cn[nH]c1NC)C(C)C.
What is the InChIKey of N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine?
The InChIKey is UPROYJRTSDNYED-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(2)8(10-3)7-5-12-13-9(7)11-4/h5-6H,1-4H3,(H2,11,12,13)/b10-8+.
What are the key properties of N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine?
N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine has a molecular weight of 180.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(N-methyl-C-propan-2-ylcarbonimidoyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 166865325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).