[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H27N5O — CID 131928604

IUPAC[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCN(CC)CCN1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C15H27N5O/c1-4-18(5-2)8-9-19-10-12-20(13-11-19)15(21)14-6-7-16-17(14)3/h6-7H,4-5,8-13H2,1-3H3
InChIKeyUBVHEXVVLLTEBO-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.52
Rot. Bonds6

About [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 131928604) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID131928604
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCN(CC)CCN1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C15H27N5O/c1-4-18(5-2)8-9-19-10-12-20(13-11-19)15(21)14-6-7-16-17(14)3/h6-7H,4-5,8-13H2,1-3H3
InChIKeyUBVHEXVVLLTEBO-UHFFFAOYSA-N
XLogP0.52
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 79078086
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
6-tert-butyl-2-[2-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913973
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 136579947
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 131928604) is [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is CCN(CC)CCN1CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is UBVHEXVVLLTEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-18(5-2)8-9-19-10-12-20(13-11-19)15(21)14-6-7-16-17(14)3/h6-7H,4-5,8-13H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 293.41 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 131928604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).