[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone

C13H22N4O2 — CID 71866606

IUPAC[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)OCCN1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-11(2)19-10-9-16-5-7-17(8-6-16)13(18)12-3-4-14-15-12/h3-4,11H,5-10H2,1-2H3,(H,14,15)
InChIKeyFPRUUGCHFNXYMJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.59
Rot. Bonds5

About [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 71866606) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID71866606
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)OCCN1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-11(2)19-10-9-16-5-7-17(8-6-16)13(18)12-3-4-14-15-12/h3-4,11H,5-10H2,1-2H3,(H,14,15)
InChIKeyFPRUUGCHFNXYMJ-UHFFFAOYSA-N
XLogP0.59
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
1H-Pyrazole-3-carboxamide, N-(2-hydroxyethyl)-
CID 2061007
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
(4-bromo-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
CID 35527352
1H-Pyrazole-3-carboxylic acid (methyl)(1,2,2,6,6-pentamethylpiperidin-4-yl)amide
CID 672567
Methyl 2-(pyrazol-3-ylcarbonylamino)acetate
CID 680913
4-[(1-propionyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 754448
[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110876262
N,N-diethyl-1H-pyrazole-3-carboxamide
CID 5128709
N-(2,2-dimethoxyethyl)-1H-pyrazole-5-carboxamide
CID 63078702

Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 71866606) is [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone is CC(C)OCCN1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is FPRUUGCHFNXYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(2)19-10-9-16-5-7-17(8-6-16)13(18)12-3-4-14-15-12/h3-4,11H,5-10H2,1-2H3,(H,14,15).
What are the key properties of [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 71866606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).