1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C18H20FN7O — CID 70756873

IUPAC1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN7O/c19-15-5-3-13(4-6-15)16-10-20-22-18(16)14-2-1-8-25(11-14)17(27)7-9-26-12-21-23-24-26/h3-6,10,12,14H,1-2,7-9,11H2,(H,20,22)
InChIKeyAPKCDTXFFUOOFA-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.00
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 70756873) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID70756873
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C18H20FN7O/c19-15-5-3-13(4-6-15)16-10-20-22-18(16)14-2-1-8-25(11-14)17(27)7-9-26-12-21-23-24-26/h3-6,10,12,14H,1-2,7-9,11H2,(H,20,22)
InChIKeyAPKCDTXFFUOOFA-UHFFFAOYSA-N
XLogP2.00
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268799
N-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 95201886
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 95216679
N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
1-[3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 78082525
4-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95220798
1-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95209428
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70722084
1-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 46960801

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 70756873) is 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is O=C(CCn1cnnn1)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is APKCDTXFFUOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c19-15-5-3-13(4-6-15)16-10-20-22-18(16)14-2-1-8-25(11-14)17(27)7-9-26-12-21-23-24-26/h3-6,10,12,14H,1-2,7-9,11H2,(H,20,22).
What are the key properties of 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 369.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 70756873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).