N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine

C9H14F3N3 — CID 66441328

IUPACN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCNCc1cnn(C(C)C)c1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-6(2)15-8(9(10,11)12)7(4-13-3)5-14-15/h5-6,13H,4H2,1-3H3
InChIKeyHSGVOFBRFJFAKG-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.20
Rot. Bonds3

About N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine

N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 66441328) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID66441328
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCNCc1cnn(C(C)C)c1C(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-6(2)15-8(9(10,11)12)7(4-13-3)5-14-15/h5-6,13H,4H2,1-3H3
InChIKeyHSGVOFBRFJFAKG-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 66441328) is N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine is CNCc1cnn(C(C)C)c1C(F)(F)F.
What is the InChIKey of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is HSGVOFBRFJFAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-6(2)15-8(9(10,11)12)7(4-13-3)5-14-15/h5-6,13H,4H2,1-3H3.
What are the key properties of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 221.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 66441328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).