1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine

C14H16ClFN4 — CID 114697676

IUPAC1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
SMILESNC1CCN(c2cc(-c3ccc(F)c(Cl)c3)[nH]n2)CC1
InChIInChI=1S/C14H16ClFN4/c15-11-7-9(1-2-12(11)16)13-8-14(19-18-13)20-5-3-10(17)4-6-20/h1-2,7-8,10H,3-6,17H2,(H,18,19)
InChIKeyLYTMZGKPSFMMGV-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.80
Rot. Bonds2

About 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine

1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine (PubChem CID 114697676) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
PubChem CID114697676
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
SMILESNC1CCN(c2cc(-c3ccc(F)c(Cl)c3)[nH]n2)CC1
InChIInChI=1S/C14H16ClFN4/c15-11-7-9(1-2-12(11)16)13-8-14(19-18-13)20-5-3-10(17)4-6-20/h1-2,7-8,10H,3-6,17H2,(H,18,19)
InChIKeyLYTMZGKPSFMMGV-UHFFFAOYSA-N
XLogP2.80
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 142990814
3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
CID 114697653
1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697836
3-chloro-4-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528340
1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532
1-[5-(5-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 114697472
1-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794368
1-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 59442849
1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 91811818
1-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697799

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine (CID 114697676) is 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine is NC1CCN(c2cc(-c3ccc(F)c(Cl)c3)[nH]n2)CC1.
What is the InChIKey of 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The InChIKey is LYTMZGKPSFMMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c15-11-7-9(1-2-12(11)16)13-8-14(19-18-13)20-5-3-10(17)4-6-20/h1-2,7-8,10H,3-6,17H2,(H,18,19).
What are the key properties of 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine has a molecular weight of 294.76 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 114697676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).