[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone

C18H23FN4O — CID 119517949

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(C)N)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-12(20)14-7-9-22(10-8-14)18(24)17-11-21-23(13(17)2)16-5-3-15(19)4-6-16/h3-6,11-12,14H,7-10,20H2,1-2H3
InChIKeyRTWGBMUEAYMGSB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.52
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone (PubChem CID 119517949) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
PubChem CID119517949
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCC(C(C)N)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-12(20)14-7-9-22(10-8-14)18(24)17-11-21-23(13(17)2)16-5-3-15(19)4-6-16/h3-6,11-12,14H,7-10,20H2,1-2H3
InChIKeyRTWGBMUEAYMGSB-UHFFFAOYSA-N
XLogP2.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 86924757
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 134053554
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089042
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2810787
1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 31901327
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032264
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 119519197
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 119646121
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone (CID 119517949) is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone is Cc1c(C(=O)N2CCC(C(C)N)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The InChIKey is RTWGBMUEAYMGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12(20)14-7-9-22(10-8-14)18(24)17-11-21-23(13(17)2)16-5-3-15(19)4-6-16/h3-6,11-12,14H,7-10,20H2,1-2H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 119517949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).