(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone

C18H24N4O — CID 39855099

IUPAC(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCCCN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C18H24N4O/c1-2-9-20-11-13-21(14-12-20)18(23)17-6-4-16(5-7-17)15-22-10-3-8-19-22/h3-8,10H,2,9,11-15H2,1H3
InChIKeyIETFMRXMJNURRG-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.10
Rot. Bonds5

About (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone

(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 39855099) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID39855099
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCCCN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C18H24N4O/c1-2-9-20-11-13-21(14-12-20)18(23)17-6-4-16(5-7-17)15-22-10-3-8-19-22/h3-8,10H,2,9,11-15H2,1H3
InChIKeyIETFMRXMJNURRG-UHFFFAOYSA-N
XLogP2.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 56802463
N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 134045231
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134036779
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
4-hydroxy-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 119250921
[(3R)-3-methylpiperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 124695746
[4-(methylsulfonylmethyl)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 112790428
(3-hydroxypiperidin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 110883852
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331488
3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one
CID 46324759
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone (CID 39855099) is (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone is CCCN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is IETFMRXMJNURRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-9-20-11-13-21(14-12-20)18(23)17-6-4-16(5-7-17)15-22-10-3-8-19-22/h3-8,10H,2,9,11-15H2,1H3.
What are the key properties of (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone?
(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 312.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 39855099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).