[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone

C19H20FN5O — CID 47089042

IUPAC[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(n3ccnc3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O/c1-14-18(12-22-25(14)17-4-2-15(20)3-5-17)19(26)23-9-6-16(7-10-23)24-11-8-21-13-24/h2-5,8,11-13,16H,6-7,9-10H2,1H3
InChIKeyWAMFRFJMUDRNMD-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.99
Rot. Bonds3

About [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone

[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone (PubChem CID 47089042) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
PubChem CID47089042
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(n3ccnc3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O/c1-14-18(12-22-25(14)17-4-2-15(20)3-5-17)19(26)23-9-6-16(7-10-23)24-11-8-21-13-24/h2-5,8,11-13,16H,6-7,9-10H2,1H3
InChIKeyWAMFRFJMUDRNMD-UHFFFAOYSA-N
XLogP2.99
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 119517949
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-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
CID 2810787
1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 134053554
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 95340385
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032264
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24629532
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995130
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995131
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone (CID 47089042) is [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(n3ccnc3)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is WAMFRFJMUDRNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-14-18(12-22-25(14)17-4-2-15(20)3-5-17)19(26)23-9-6-16(7-10-23)24-11-8-21-13-24/h2-5,8,11-13,16H,6-7,9-10H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone?
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 353.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 47089042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).