1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine

C10H17F2N3 — CID 66440093

IUPAC1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(CC(C)C)c1C(F)F
InChIInChI=1S/C10H17F2N3/c1-7(2)6-15-9(10(11)12)8(4-13-3)5-14-15/h5,7,10,13H,4,6H2,1-3H3
InChIKeySZDKCTKNMZASCN-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.20
Rot. Bonds5

About 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine

1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 66440093) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID66440093
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(CC(C)C)c1C(F)F
InChIInChI=1S/C10H17F2N3/c1-7(2)6-15-9(10(11)12)8(4-13-3)5-14-15/h5,7,10,13H,4,6H2,1-3H3
InChIKeySZDKCTKNMZASCN-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine (CID 66440093) is 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(CC(C)C)c1C(F)F.
What is the InChIKey of 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is SZDKCTKNMZASCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-7(2)6-15-9(10(11)12)8(4-13-3)5-14-15/h5,7,10,13H,4,6H2,1-3H3.
What are the key properties of 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine?
1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 217.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66440093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).