[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone

C22H23FN4O — CID 70103313

IUPAC[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C22H23FN4O/c23-18-9-7-16(8-10-18)20-19(22(24)26-25-20)21(28)17-6-4-5-15(13-17)14-27-11-2-1-3-12-27/h4-10,13H,1-3,11-12,14H2,(H3,24,25,26)
InChIKeyLZDGZFHOJJJMLP-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.01
Rot. Bonds5

About [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 70103313) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID70103313
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C22H23FN4O/c23-18-9-7-16(8-10-18)20-19(22(24)26-25-20)21(28)17-6-4-5-15(13-17)14-27-11-2-1-3-12-27/h4-10,13H,1-3,11-12,14H2,(H3,24,25,26)
InChIKeyLZDGZFHOJJJMLP-UHFFFAOYSA-N
XLogP4.01
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone (CID 70103313) is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone is Nc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is LZDGZFHOJJJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-18-9-7-16(8-10-18)20-19(22(24)26-25-20)21(28)17-6-4-5-15(13-17)14-27-11-2-1-3-12-27/h4-10,13H,1-3,11-12,14H2,(H3,24,25,26).
What are the key properties of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone?
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 378.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 70103313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).