N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C17H21FN4O — CID 118903723

IUPACN-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(C[C@H]3NC[C@H]3F)cc2)n[nH]1
InChIInChI=1S/C17H21FN4O/c1-10(2)14-8-16(22-21-14)17(23)20-12-5-3-11(4-6-12)7-15-13(18)9-19-15/h3-6,8,10,13,15,19H,7,9H2,1-2H3,(H,20,23)(H,21,22)/t13-,15-/m1/s1
InChIKeyJGQZUHQODROZJG-UKRRQHHQSA-N
MW316.38 g/mol
LogP2.64
Rot. Bonds5

About N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 118903723) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID118903723
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(C[C@H]3NC[C@H]3F)cc2)n[nH]1
InChIInChI=1S/C17H21FN4O/c1-10(2)14-8-16(22-21-14)17(23)20-12-5-3-11(4-6-12)7-15-13(18)9-19-15/h3-6,8,10,13,15,19H,7,9H2,1-2H3,(H,20,23)(H,21,22)/t13-,15-/m1/s1
InChIKeyJGQZUHQODROZJG-UKRRQHHQSA-N
XLogP2.64
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 118903723) is N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(C[C@H]3NC[C@H]3F)cc2)n[nH]1.
What is the InChIKey of N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JGQZUHQODROZJG-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-10(2)14-8-16(22-21-14)17(23)20-12-5-3-11(4-6-12)7-15-13(18)9-19-15/h3-6,8,10,13,15,19H,7,9H2,1-2H3,(H,20,23)(H,21,22)/t13-,15-/m1/s1.
What are the key properties of N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,3R)-3-fluoroazetidin-2-yl]methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118903723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).