N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C12H21F3N4 — CID 60891777

IUPACN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CNC(C)C
InChIInChI=1S/C12H21F3N4/c1-8(2)16-6-10-9(3)17-19(5)11(10)18(4)7-12(13,14)15/h8,16H,6-7H2,1-5H3
InChIKeyUOVSOMBBAHEWRJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.23
Rot. Bonds5

About N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 60891777) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID60891777
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC NameN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CNC(C)C
InChIInChI=1S/C12H21F3N4/c1-8(2)16-6-10-9(3)17-19(5)11(10)18(4)7-12(13,14)15/h8,16H,6-7H2,1-5H3
InChIKeyUOVSOMBBAHEWRJ-UHFFFAOYSA-N
XLogP2.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 60891777) is N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)CC(F)(F)F)c1CNC(C)C.
What is the InChIKey of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is UOVSOMBBAHEWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-8(2)16-6-10-9(3)17-19(5)11(10)18(4)7-12(13,14)15/h8,16H,6-7H2,1-5H3.
What are the key properties of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 278.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 60891777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).