[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone

C17H22N4O2 — CID 124688381

IUPAC[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCOc1ccccc1-c1nn(C)cc1C(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C17H22N4O2/c1-12-10-21(9-8-18-12)17(22)14-11-20(2)19-16(14)13-6-4-5-7-15(13)23-3/h4-7,11-12,18H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyYMCOSPHXXRZLGC-LBPRGKRZSA-N
MW314.39 g/mol
LogP1.53
Rot. Bonds3

About [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone

[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 124688381) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID124688381
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCOc1ccccc1-c1nn(C)cc1C(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C17H22N4O2/c1-12-10-21(9-8-18-12)17(22)14-11-20(2)19-16(14)13-6-4-5-7-15(13)23-3/h4-7,11-12,18H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyYMCOSPHXXRZLGC-LBPRGKRZSA-N
XLogP1.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620567
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124694982
3-[(3S)-1-[3-(2-methoxyphenyl)-1-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688376
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanone;hydrochloride
CID 120814915
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580362
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 25387163

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone (CID 124688381) is [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone is COc1ccccc1-c1nn(C)cc1C(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is YMCOSPHXXRZLGC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-10-21(9-8-18-12)17(22)14-11-20(2)19-16(14)13-6-4-5-7-15(13)23-3/h4-7,11-12,18H,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124688381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).