N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide

C21H24FN5O — CID 24889658

IUPACN-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide
SMILESCC(C)(N)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN5O/c1-21(2,23)14-25-20(28)13-27-18(11-15-3-5-17(22)6-4-15)12-19(26-27)16-7-9-24-10-8-16/h3-10,12H,11,13-14,23H2,1-2H3,(H,25,28)
InChIKeyAKEFBGWOOGQGJN-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.53
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide

N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide (PubChem CID 24889658) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide
PubChem CID24889658
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide
SMILESCC(C)(N)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN5O/c1-21(2,23)14-25-20(28)13-27-18(11-15-3-5-17(22)6-4-15)12-19(26-27)16-7-9-24-10-8-16/h3-10,12H,11,13-14,23H2,1-2H3,(H,25,28)
InChIKeyAKEFBGWOOGQGJN-UHFFFAOYSA-N
XLogP2.53
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide (CID 24889658) is N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide is CC(C)(N)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide?
The InChIKey is AKEFBGWOOGQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-21(2,23)14-25-20(28)13-27-18(11-15-3-5-17(22)6-4-15)12-19(26-27)16-7-9-24-10-8-16/h3-10,12H,11,13-14,23H2,1-2H3,(H,25,28).
What are the key properties of N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide?
N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 24889658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).