1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine

C19H34N4 — CID 142466710

IUPAC1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine
SMILESCC(C)c1c(C(C)(C)C)c(CN2CCN(C3CC3)CC2)nn1C
InChIInChI=1S/C19H34N4/c1-14(2)18-17(19(3,4)5)16(20-21(18)6)13-22-9-11-23(12-10-22)15-7-8-15/h14-15H,7-13H2,1-6H3
InChIKeyAPWBYIKAUDAEBF-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.12
Rot. Bonds4

About 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine

1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine (PubChem CID 142466710) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine
PubChem CID142466710
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC Name1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine
SMILESCC(C)c1c(C(C)(C)C)c(CN2CCN(C3CC3)CC2)nn1C
InChIInChI=1S/C19H34N4/c1-14(2)18-17(19(3,4)5)16(20-21(18)6)13-22-9-11-23(12-10-22)15-7-8-15/h14-15H,7-13H2,1-6H3
InChIKeyAPWBYIKAUDAEBF-UHFFFAOYSA-N
XLogP3.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine (CID 142466710) is 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine is CC(C)c1c(C(C)(C)C)c(CN2CCN(C3CC3)CC2)nn1C.
What is the InChIKey of 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine?
The InChIKey is APWBYIKAUDAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-14(2)18-17(19(3,4)5)16(20-21(18)6)13-22-9-11-23(12-10-22)15-7-8-15/h14-15H,7-13H2,1-6H3.
What are the key properties of 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine?
1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine has a molecular weight of 318.51 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-cyclopropylpiperazine is sourced from PubChem (CID 142466710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).