(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone

C11H18N4O — CID 43582709

IUPAC(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCCCN1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c1-2-3-14-4-6-15(7-5-14)11(16)10-8-12-13-9-10/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyTWUVHBQBJOMKAZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds3

About (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone

(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 43582709) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID43582709
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCCCN1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O/c1-2-3-14-4-6-15(7-5-14)11(16)10-8-12-13-9-10/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyTWUVHBQBJOMKAZ-UHFFFAOYSA-N
XLogP0.58
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-bromoethyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660526
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80665317
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77012033
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63085261
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]butanethioamide
CID 63340326
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 43582709) is (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone is CCCN1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is TWUVHBQBJOMKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-14-4-6-15(7-5-14)11(16)10-8-12-13-9-10/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43582709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).