3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

C11H14F3N5 — CID 66028648

IUPAC3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N5/c1-3-4-18-10(9(15)7(2)17-18)19-6-8(5-16-19)11(12,13)14/h5-6H,3-4,15H2,1-2H3
InChIKeySPBUVVPPLQBZSF-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.39
Rot. Bonds3

About 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (PubChem CID 66028648) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
PubChem CID66028648
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N5/c1-3-4-18-10(9(15)7(2)17-18)19-6-8(5-16-19)11(12,13)14/h5-6H,3-4,15H2,1-2H3
InChIKeySPBUVVPPLQBZSF-UHFFFAOYSA-N
XLogP2.39
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (CID 66028648) is 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is CCCn1nc(C)c(N)c1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The InChIKey is SPBUVVPPLQBZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-3-4-18-10(9(15)7(2)17-18)19-6-8(5-16-19)11(12,13)14/h5-6H,3-4,15H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine has a molecular weight of 273.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66028648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).