1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C12H21F3N4 — CID 66017520

IUPAC1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C12H21F3N4/c1-5-6-9-10(16)11(18(4)17-9)19(8(2)3)7-12(13,14)15/h8H,5-7,16H2,1-4H3
InChIKeySVROCGNELNSSCS-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.73
Rot. Bonds5

About 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66017520) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66017520
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C12H21F3N4/c1-5-6-9-10(16)11(18(4)17-9)19(8(2)3)7-12(13,14)15/h8H,5-7,16H2,1-4H3
InChIKeySVROCGNELNSSCS-UHFFFAOYSA-N
XLogP2.73
TPSA47.08 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66017520) is 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N.
What is the InChIKey of 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is SVROCGNELNSSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-5-6-9-10(16)11(18(4)17-9)19(8(2)3)7-12(13,14)15/h8H,5-7,16H2,1-4H3.
What are the key properties of 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 278.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66017520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).