1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine

C15H18BrFN4 — CID 107109920

IUPAC1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(Cc3cc(F)cc(Br)c3)CC2)n1
InChIInChI=1S/C15H18BrFN4/c16-12-7-11(8-13(17)9-12)10-20-4-1-14(2-5-20)21-6-3-15(18)19-21/h3,6-9,14H,1-2,4-5,10H2,(H2,18,19)
InChIKeyAMIOWUPVMRBBLP-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.20
Rot. Bonds3

About 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine

1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine (PubChem CID 107109920) has the molecular formula C15H18BrFN4 and a molecular weight of 353.24 g/mol. Its IUPAC name is 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
PubChem CID107109920
Molecular FormulaC15H18BrFN4
Molecular Weight353.24 g/mol
Exact Mass352.07
IUPAC Name1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(Cc3cc(F)cc(Br)c3)CC2)n1
InChIInChI=1S/C15H18BrFN4/c16-12-7-11(8-13(17)9-12)10-20-4-1-14(2-5-20)21-6-3-15(18)19-21/h3,6-9,14H,1-2,4-5,10H2,(H2,18,19)
InChIKeyAMIOWUPVMRBBLP-UHFFFAOYSA-N
XLogP3.20
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109946
1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109823
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109996
1-[(3-bromo-5-fluorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926791
3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 107110060
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097
[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]methanamine
CID 79706155
1-[(3-bromo-5-fluorophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800664
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine (CID 107109920) is 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine is Nc1ccn(C2CCN(Cc3cc(F)cc(Br)c3)CC2)n1.
What is the InChIKey of 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine?
The InChIKey is AMIOWUPVMRBBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN4/c16-12-7-11(8-13(17)9-12)10-20-4-1-14(2-5-20)21-6-3-15(18)19-21/h3,6-9,14H,1-2,4-5,10H2,(H2,18,19).
What are the key properties of 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine?
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine has a molecular weight of 353.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107109920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).