4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C11H17ClF3N3 — CID 55010205

IUPAC4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CCl
InChIInChI=1S/C11H17ClF3N3/c1-7(2)18(6-11(13,14)15)10-9(5-12)8(3)16-17(10)4/h7H,5-6H2,1-4H3
InChIKeyWIPRILDVSCTTCZ-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.24
Rot. Bonds4

About 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55010205) has the molecular formula C11H17ClF3N3 and a molecular weight of 283.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55010205
Molecular FormulaC11H17ClF3N3
Molecular Weight283.73 g/mol
Exact Mass283.11
IUPAC Name4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CCl
InChIInChI=1S/C11H17ClF3N3/c1-7(2)18(6-11(13,14)15)10-9(5-12)8(3)16-17(10)4/h7H,5-6H2,1-4H3
InChIKeyWIPRILDVSCTTCZ-UHFFFAOYSA-N
XLogP3.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55010205) is 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CCl.
What is the InChIKey of 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is WIPRILDVSCTTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3N3/c1-7(2)18(6-11(13,14)15)10-9(5-12)8(3)16-17(10)4/h7H,5-6H2,1-4H3.
What are the key properties of 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 283.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55010205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).