1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid

C15H16BrN3O2 — CID 112707623

IUPAC1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(-c3cccc(Br)c3)[nH]n2)CC1
InChIInChI=1S/C15H16BrN3O2/c16-12-3-1-2-11(8-12)13-9-14(18-17-13)19-6-4-10(5-7-19)15(20)21/h1-3,8-10H,4-7H2,(H,17,18)(H,20,21)
InChIKeyZAEWCCKYECHHKO-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.14
Rot. Bonds3

About 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid

1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid (PubChem CID 112707623) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
PubChem CID112707623
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(-c3cccc(Br)c3)[nH]n2)CC1
InChIInChI=1S/C15H16BrN3O2/c16-12-3-1-2-11(8-12)13-9-14(18-17-13)19-6-4-10(5-7-19)15(20)21/h1-3,8-10H,4-7H2,(H,17,18)(H,20,21)
InChIKeyZAEWCCKYECHHKO-UHFFFAOYSA-N
XLogP3.14
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 112707624
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 56771437
(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91914523
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
(3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
CID 91887727
1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 133054089
(3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
CID 75527324
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162
3-bromo-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741798
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907505
3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
CID 114697653

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid (CID 112707623) is 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(-c3cccc(Br)c3)[nH]n2)CC1.
What is the InChIKey of 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
The InChIKey is ZAEWCCKYECHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-12-3-1-2-11(8-12)13-9-14(18-17-13)19-6-4-10(5-7-19)15(20)21/h1-3,8-10H,4-7H2,(H,17,18)(H,20,21).
What are the key properties of 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid?
1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid has a molecular weight of 350.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 112707623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).