1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine

C17H32N4 — CID 63793784

IUPAC1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(N2CCC(C(C)(C)C)CC2)c1CC(C)N
InChIInChI=1S/C17H32N4/c1-12(18)11-15-13(2)19-20(6)16(15)21-9-7-14(8-10-21)17(3,4)5/h12,14H,7-11,18H2,1-6H3
InChIKeyDOUBUEUVOSMEGS-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.88
Rot. Bonds3

About 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine

1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine (PubChem CID 63793784) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
PubChem CID63793784
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(N2CCC(C(C)(C)C)CC2)c1CC(C)N
InChIInChI=1S/C17H32N4/c1-12(18)11-15-13(2)19-20(6)16(15)21-9-7-14(8-10-21)17(3,4)5/h12,14H,7-11,18H2,1-6H3
InChIKeyDOUBUEUVOSMEGS-UHFFFAOYSA-N
XLogP2.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine (CID 63793784) is 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine is Cc1nn(C)c(N2CCC(C(C)(C)C)CC2)c1CC(C)N.
What is the InChIKey of 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The InChIKey is DOUBUEUVOSMEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-12(18)11-15-13(2)19-20(6)16(15)21-9-7-14(8-10-21)17(3,4)5/h12,14H,7-11,18H2,1-6H3.
What are the key properties of 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63793784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).