1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine

C13H21N5 — CID 66017554

IUPAC1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine
SMILESCCCc1nn(C)c(-n2ccnc2CCC)c1N
InChIInChI=1S/C13H21N5/c1-4-6-10-12(14)13(17(3)16-10)18-9-8-15-11(18)7-5-2/h8-9H,4-7,14H2,1-3H3
InChIKeyRJAXNAADGZFSBD-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.09
Rot. Bonds5

About 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine

1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine (PubChem CID 66017554) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine
PubChem CID66017554
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine
SMILESCCCc1nn(C)c(-n2ccnc2CCC)c1N
InChIInChI=1S/C13H21N5/c1-4-6-10-12(14)13(17(3)16-10)18-9-8-15-11(18)7-5-2/h8-9H,4-7,14H2,1-3H3
InChIKeyRJAXNAADGZFSBD-UHFFFAOYSA-N
XLogP2.09
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine (CID 66017554) is 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine is CCCc1nn(C)c(-n2ccnc2CCC)c1N.
What is the InChIKey of 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine?
The InChIKey is RJAXNAADGZFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-6-10-12(14)13(17(3)16-10)18-9-8-15-11(18)7-5-2/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine?
1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine is sourced from PubChem (CID 66017554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).