1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine

C11H17F3N4O2 — CID 10469680

IUPAC1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCCN(CCC)c1nn(C)c(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C11H17F3N4O2/c1-4-6-17(7-5-2)10-8(18(19)20)9(11(12,13)14)16(3)15-10/h4-7H2,1-3H3
InChIKeyXXZBQKDUUMOCEA-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.97
Rot. Bonds6

About 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine

1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 10469680) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID10469680
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCCCN(CCC)c1nn(C)c(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C11H17F3N4O2/c1-4-6-17(7-5-2)10-8(18(19)20)9(11(12,13)14)16(3)15-10/h4-7H2,1-3H3
InChIKeyXXZBQKDUUMOCEA-UHFFFAOYSA-N
XLogP2.97
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine (CID 10469680) is 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine is CCCN(CCC)c1nn(C)c(C(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is XXZBQKDUUMOCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-4-6-17(7-5-2)10-8(18(19)20)9(11(12,13)14)16(3)15-10/h4-7H2,1-3H3.
What are the key properties of 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine?
1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 294.28 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 10469680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).