[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C20H26N4O — CID 95590694

IUPAC[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCn1cc([C@H]2C[C@@H]2C(=O)N2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-22-15-17(14-21-22)18-13-19(18)20(25)24-11-9-23(10-12-24)8-7-16-5-3-2-4-6-16/h2-6,14-15,18-19H,7-13H2,1H3/t18-,19+/m1/s1
InChIKeyFAIHRHYGKXDOAB-MOPGFXCFSA-N
MW338.45 g/mol
LogP1.91
Rot. Bonds5

About [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 95590694) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID95590694
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCn1cc([C@H]2C[C@@H]2C(=O)N2CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-22-15-17(14-21-22)18-13-19(18)20(25)24-11-9-23(10-12-24)8-7-16-5-3-2-4-6-16/h2-6,14-15,18-19H,7-13H2,1H3/t18-,19+/m1/s1
InChIKeyFAIHRHYGKXDOAB-MOPGFXCFSA-N
XLogP1.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95585732
[2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 56820079
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95590699
[2-(1-methylpyrazol-4-yl)cyclopropyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 56821626
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110629306
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334365
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334362
[(2R)-4-benzyl-2-methylpiperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124840211
3,4-dimethyl-6-[4-(2-phenylethyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 6469252
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590778
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590682

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 95590694) is [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is Cn1cc([C@H]2C[C@@H]2C(=O)N2CCN(CCc3ccccc3)CC2)cn1.
What is the InChIKey of [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is FAIHRHYGKXDOAB-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-15-17(14-21-22)18-13-19(18)20(25)24-11-9-23(10-12-24)8-7-16-5-3-2-4-6-16/h2-6,14-15,18-19H,7-13H2,1H3/t18-,19+/m1/s1.
What are the key properties of [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95590694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).