1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine

C9H16N4 — CID 123962212

IUPAC1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine
SMILES[H]/N=C(\C)n1ncc(C(C)C)c1NC
InChIInChI=1S/C9H16N4/c1-6(2)8-5-12-13(7(3)10)9(8)11-4/h5-6,10-11H,1-4H3/b10-7+
InChIKeyNQZPAKSPKMVPJM-JXMROGBWSA-N
MW180.25 g/mol
LogP1.89
Rot. Bonds2

About 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine

1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine (PubChem CID 123962212) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine
PubChem CID123962212
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine
SMILES[H]/N=C(\C)n1ncc(C(C)C)c1NC
InChIInChI=1S/C9H16N4/c1-6(2)8-5-12-13(7(3)10)9(8)11-4/h5-6,10-11H,1-4H3/b10-7+
InChIKeyNQZPAKSPKMVPJM-JXMROGBWSA-N
XLogP1.89
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-isopropyl-1-methyl-1H-pyrazol-5-amine
CID 20823874
4-ethyl-1-isopropyl-1H-pyrazol-5-amine
CID 126480383
1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)-1H-pyrazol-3-amine
CID 122168908
1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)-1H-pyrazol-5-amine
CID 122168910
1-(2-fluoroethyl)-4-methyl-N-pentyl-1H-pyrazol-5-amine
CID 122168913
N-butyl-1-(2-fluoroethyl)-4-methyl-1H-pyrazol-5-amine
CID 122168974
1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)-1H-pyrazol-5-amine
CID 122168982
1-(2-fluoroethyl)-4-methyl-N-propyl-1H-pyrazol-5-amine
CID 122169037
4-Isopropyl-1H-pyrazole-1-carboximidamide
CID 12356166
4-(2-Aminoethyl)-1-methyl-1H-pyrazol-5-amine
CID 17961977
4-Ethyl-1-methyl-1H-pyrazol-5-amine
CID 22456644
4-tert-butyl-N-ethyl-1H-pyrazol-5-amine
CID 58477481

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine (CID 123962212) is 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine is [H]/N=C(\C)n1ncc(C(C)C)c1NC.
What is the InChIKey of 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine?
The InChIKey is NQZPAKSPKMVPJM-JXMROGBWSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(2)8-5-12-13(7(3)10)9(8)11-4/h5-6,10-11H,1-4H3/b10-7+.
What are the key properties of 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine?
1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine has a molecular weight of 180.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-N-methyl-4-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 123962212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).