1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C16H26N4O — CID 91629017

IUPAC1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCn1nc(C2CC2)cc1N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)15(21)20-9-7-19(8-10-20)14-11-13(12-5-6-12)17-18(14)4/h11-12H,5-10H2,1-4H3
InChIKeyIUIZPZRCQYEKQS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds2

About 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 91629017) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID91629017
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCn1nc(C2CC2)cc1N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)15(21)20-9-7-19(8-10-20)14-11-13(12-5-6-12)17-18(14)4/h11-12H,5-10H2,1-4H3
InChIKeyIUIZPZRCQYEKQS-UHFFFAOYSA-N
XLogP1.99
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 91629017) is 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one is Cn1nc(C2CC2)cc1N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IUIZPZRCQYEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)15(21)20-9-7-19(8-10-20)14-11-13(12-5-6-12)17-18(14)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 91629017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).