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

C13H21N5 — CID 66012156

IUPAC1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine
SMILESCCCc1nccn1-c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H21N5/c1-5-6-10-15-7-8-18(10)13-11(14)12(9(2)3)16-17(13)4/h7-9H,5-6,14H2,1-4H3
InChIKeyISFNTEKPRUCQPO-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.26
Rot. Bonds4

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

1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine (PubChem CID 66012156) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine
PubChem CID66012156
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine
SMILESCCCc1nccn1-c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H21N5/c1-5-6-10-15-7-8-18(10)13-11(14)12(9(2)3)16-17(13)4/h7-9H,5-6,14H2,1-4H3
InChIKeyISFNTEKPRUCQPO-UHFFFAOYSA-N
XLogP2.26
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine (CID 66012156) is 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine is CCCc1nccn1-c1c(N)c(C(C)C)nn1C.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine?
The InChIKey is ISFNTEKPRUCQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-6-10-15-7-8-18(10)13-11(14)12(9(2)3)16-17(13)4/h7-9H,5-6,14H2,1-4H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine?
1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-(2-propylimidazol-1-yl)pyrazol-4-amine is sourced from PubChem (CID 66012156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).