4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine

C20H21FN4 — CID 22037336

IUPAC4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine
SMILESNC1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C20H21FN4/c21-16-5-1-14(2-6-16)19-18(13-9-11-23-12-10-13)20(25-24-19)15-3-7-17(22)8-4-15/h1-2,5-6,9-12,15,17H,3-4,7-8,22H2,(H,24,25)
InChIKeyHNICRUQERAENDB-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.26
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine

4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine (PubChem CID 22037336) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine
PubChem CID22037336
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine
SMILESNC1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C20H21FN4/c21-16-5-1-14(2-6-16)19-18(13-9-11-23-12-10-13)20(25-24-19)15-3-7-17(22)8-4-15/h1-2,5-6,9-12,15,17H,3-4,7-8,22H2,(H,24,25)
InChIKeyHNICRUQERAENDB-UHFFFAOYSA-N
XLogP4.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine (CID 22037336) is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine is NC1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine?
The InChIKey is HNICRUQERAENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c21-16-5-1-14(2-6-16)19-18(13-9-11-23-12-10-13)20(25-24-19)15-3-7-17(22)8-4-15/h1-2,5-6,9-12,15,17H,3-4,7-8,22H2,(H,24,25).
What are the key properties of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine?
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine has a molecular weight of 336.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 22037336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).