1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine

C19H29N5 — CID 56822834

IUPAC1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine
SMILESCC(C)(C)CCN1CCN(Cn2nccc2-c2cccnc2)CC1
InChIInChI=1S/C19H29N5/c1-19(2,3)7-10-22-11-13-23(14-12-22)16-24-18(6-9-21-24)17-5-4-8-20-15-17/h4-6,8-9,15H,7,10-14,16H2,1-3H3
InChIKeyAMTYXJFYETVVMM-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.96
Rot. Bonds5

About 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine

1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine (PubChem CID 56822834) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine
PubChem CID56822834
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine
SMILESCC(C)(C)CCN1CCN(Cn2nccc2-c2cccnc2)CC1
InChIInChI=1S/C19H29N5/c1-19(2,3)7-10-22-11-13-23(14-12-22)16-24-18(6-9-21-24)17-5-4-8-20-15-17/h4-6,8-9,15H,7,10-14,16H2,1-3H3
InChIKeyAMTYXJFYETVVMM-UHFFFAOYSA-N
XLogP2.96
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine (CID 56822834) is 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine is CC(C)(C)CCN1CCN(Cn2nccc2-c2cccnc2)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine?
The InChIKey is AMTYXJFYETVVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-19(2,3)7-10-22-11-13-23(14-12-22)16-24-18(6-9-21-24)17-5-4-8-20-15-17/h4-6,8-9,15H,7,10-14,16H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine?
1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine has a molecular weight of 327.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine is sourced from PubChem (CID 56822834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).