1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C20H34N4O2 — CID 134021675

IUPAC1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H34N4O2/c1-14(2)13-24-16(4)17(15(3)21-24)12-18(25)22-8-10-23(11-9-22)19(26)20(5,6)7/h14H,8-13H2,1-7H3
InChIKeyGCPNUAKFFRWTEB-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.42
Rot. Bonds4

About 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134021675) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134021675
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H34N4O2/c1-14(2)13-24-16(4)17(15(3)21-24)12-18(25)22-8-10-23(11-9-22)19(26)20(5,6)7/h14H,8-13H2,1-7H3
InChIKeyGCPNUAKFFRWTEB-UHFFFAOYSA-N
XLogP2.42
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 134021675) is 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is GCPNUAKFFRWTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-14(2)13-24-16(4)17(15(3)21-24)12-18(25)22-8-10-23(11-9-22)19(26)20(5,6)7/h14H,8-13H2,1-7H3.
What are the key properties of 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 362.52 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134021675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).