2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine

C17H32N4 — CID 130236119

IUPAC2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine
SMILESCCc1cn(C2CCN(CCN(C)C)CC2)nc1C(C)C
InChIInChI=1S/C17H32N4/c1-6-15-13-21(18-17(15)14(2)3)16-7-9-20(10-8-16)12-11-19(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyKJZYQSBPZCJIEE-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine

2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine (PubChem CID 130236119) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine
PubChem CID130236119
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine
SMILESCCc1cn(C2CCN(CCN(C)C)CC2)nc1C(C)C
InChIInChI=1S/C17H32N4/c1-6-15-13-21(18-17(15)14(2)3)16-7-9-20(10-8-16)12-11-19(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyKJZYQSBPZCJIEE-UHFFFAOYSA-N
XLogP2.77
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine (CID 130236119) is 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine is CCc1cn(C2CCN(CCN(C)C)CC2)nc1C(C)C.
What is the InChIKey of 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is KJZYQSBPZCJIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-15-13-21(18-17(15)14(2)3)16-7-9-20(10-8-16)12-11-19(4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine?
2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 292.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 130236119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).