3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine

C13H21N5 — CID 66026820

IUPAC3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine
SMILESCc1nn(-c2c(N)c(C)nn2C(C)C)c(C)c1C
InChIInChI=1S/C13H21N5/c1-7(2)17-13(12(14)10(5)16-17)18-11(6)8(3)9(4)15-18/h7H,14H2,1-6H3
InChIKeyWAUVYVFPBATXNB-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.47
Rot. Bonds2

About 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine

3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine (PubChem CID 66026820) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine
PubChem CID66026820
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine
SMILESCc1nn(-c2c(N)c(C)nn2C(C)C)c(C)c1C
InChIInChI=1S/C13H21N5/c1-7(2)17-13(12(14)10(5)16-17)18-11(6)8(3)9(4)15-18/h7H,14H2,1-6H3
InChIKeyWAUVYVFPBATXNB-UHFFFAOYSA-N
XLogP2.47
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine?
The IUPAC name of 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine (CID 66026820) is 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine is Cc1nn(-c2c(N)c(C)nn2C(C)C)c(C)c1C.
What is the InChIKey of 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine?
The InChIKey is WAUVYVFPBATXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-7(2)17-13(12(14)10(5)16-17)18-11(6)8(3)9(4)15-18/h7H,14H2,1-6H3.
What are the key properties of 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine?
3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5-(3,4,5-trimethylpyrazol-1-yl)pyrazol-4-amine is sourced from PubChem (CID 66026820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).