2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C19H24FN5O2 — CID 163434762

IUPAC2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESC/C=C(\OC)c1cc(N)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN5O2/c1-3-17(27-2)16-12-18(21)25(22-16)13-19(26)24-10-8-23(9-11-24)15-6-4-14(20)5-7-15/h3-7,12H,8-11,13,21H2,1-2H3/b17-3-
InChIKeyATNAGYRRRKZDAS-YPEHOIGNSA-N
MW373.43 g/mol
LogP1.96
Rot. Bonds5

About 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 163434762) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID163434762
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESC/C=C(\OC)c1cc(N)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H24FN5O2/c1-3-17(27-2)16-12-18(21)25(22-16)13-19(26)24-10-8-23(9-11-24)15-6-4-14(20)5-7-15/h3-7,12H,8-11,13,21H2,1-2H3/b17-3-
InChIKeyATNAGYRRRKZDAS-YPEHOIGNSA-N
XLogP1.96
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone
CID 21071008
2-(5-butan-2-yl-3-propan-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 70974292
CID 89153625
CID 89153625
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-(4-fluorophenyl)-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 46857566
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 22513124
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 1370410
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 91960231
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 7257545

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 163434762) is 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is C/C=C(\OC)c1cc(N)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is ATNAGYRRRKZDAS-YPEHOIGNSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-3-17(27-2)16-12-18(21)25(22-16)13-19(26)24-10-8-23(9-11-24)15-6-4-14(20)5-7-15/h3-7,12H,8-11,13,21H2,1-2H3/b17-3-.
What are the key properties of 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 373.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-[(Z)-1-methoxyprop-1-enyl]pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 163434762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).