5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine

C15H29N5 — CID 66027205

IUPAC5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCCC(C)N1CCN(c2c(N)c(C)nn2C(C)C)CC1
InChIInChI=1S/C15H29N5/c1-6-12(4)18-7-9-19(10-8-18)15-14(16)13(5)17-20(15)11(2)3/h11-12H,6-10,16H2,1-5H3
InChIKeyDMIWAUZTOJNFOG-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.28
Rot. Bonds4

About 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine

5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66027205) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66027205
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCCC(C)N1CCN(c2c(N)c(C)nn2C(C)C)CC1
InChIInChI=1S/C15H29N5/c1-6-12(4)18-7-9-19(10-8-18)15-14(16)13(5)17-20(15)11(2)3/h11-12H,6-10,16H2,1-5H3
InChIKeyDMIWAUZTOJNFOG-UHFFFAOYSA-N
XLogP2.28
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66027205) is 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine is CCC(C)N1CCN(c2c(N)c(C)nn2C(C)C)CC1.
What is the InChIKey of 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is DMIWAUZTOJNFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-12(4)18-7-9-19(10-8-18)15-14(16)13(5)17-20(15)11(2)3/h11-12H,6-10,16H2,1-5H3.
What are the key properties of 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 279.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylpiperazin-1-yl)-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66027205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).