N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine

C14H16F2N4 — CID 114698096

IUPACN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
SMILESFc1cccc(F)c1-c1cc(NC2CCNCC2)n[nH]1
InChIInChI=1S/C14H16F2N4/c15-10-2-1-3-11(16)14(10)12-8-13(20-19-12)18-9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H2,18,19,20)
InChIKeyAARBAMPAJOXCGL-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.52
Rot. Bonds3

About N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine

N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine (PubChem CID 114698096) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
PubChem CID114698096
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
SMILESFc1cccc(F)c1-c1cc(NC2CCNCC2)n[nH]1
InChIInChI=1S/C14H16F2N4/c15-10-2-1-3-11(16)14(10)12-8-13(20-19-12)18-9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H2,18,19,20)
InChIKeyAARBAMPAJOXCGL-UHFFFAOYSA-N
XLogP2.52
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
N-cyclopropyl-5-(2-fluorophenyl)-1H-pyrazol-3-amine
CID 63049345
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine
CID 63049032
N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 63048660
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959898
5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
5-(furan-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698002
5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697943
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
CID 67959866
2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 56766985

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The IUPAC name of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine (CID 114698096) is N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine.
What is the SMILES notation for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The canonical SMILES for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine is Fc1cccc(F)c1-c1cc(NC2CCNCC2)n[nH]1.
What is the InChIKey of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
The InChIKey is AARBAMPAJOXCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c15-10-2-1-3-11(16)14(10)12-8-13(20-19-12)18-9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2,(H2,18,19,20).
What are the key properties of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine?
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine has a molecular weight of 278.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 114698096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).