1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine

C10H15ClF3N3 — CID 59833744

IUPAC1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
SMILESCC(C)n1nc(C(F)(F)F)c(Cl)c1CN(C)C
InChIInChI=1S/C10H15ClF3N3/c1-6(2)17-7(5-16(3)4)8(11)9(15-17)10(12,13)14/h6H,5H2,1-4H3
InChIKeyNJHZDGFKFCUASK-UHFFFAOYSA-N
MW269.70 g/mol
LogP3.20
Rot. Bonds3

About 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine

1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 59833744) has the molecular formula C10H15ClF3N3 and a molecular weight of 269.70 g/mol. Its IUPAC name is 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
PubChem CID59833744
Molecular FormulaC10H15ClF3N3
Molecular Weight269.70 g/mol
Exact Mass269.09
IUPAC Name1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
SMILESCC(C)n1nc(C(F)(F)F)c(Cl)c1CN(C)C
InChIInChI=1S/C10H15ClF3N3/c1-6(2)17-7(5-16(3)4)8(11)9(15-17)10(12,13)14/h6H,5H2,1-4H3
InChIKeyNJHZDGFKFCUASK-UHFFFAOYSA-N
XLogP3.20
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine (CID 59833744) is 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine is CC(C)n1nc(C(F)(F)F)c(Cl)c1CN(C)C.
What is the InChIKey of 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is NJHZDGFKFCUASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3/c1-6(2)17-7(5-16(3)4)8(11)9(15-17)10(12,13)14/h6H,5H2,1-4H3.
What are the key properties of 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 269.70 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 59833744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).