N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide

C15H18FN3O2 — CID 100662600

IUPACN-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](COc1cccc(F)c1)NC(=O)CCn1cccn1
InChIInChI=1S/C15H18FN3O2/c1-12(11-21-14-5-2-4-13(16)10-14)18-15(20)6-9-19-8-3-7-17-19/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyFXLKJIWLVJPGAI-LBPRGKRZSA-N
MW291.33 g/mol
LogP2.00
Rot. Bonds7

About N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide

N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 100662600) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
PubChem CID100662600
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](COc1cccc(F)c1)NC(=O)CCn1cccn1
InChIInChI=1S/C15H18FN3O2/c1-12(11-21-14-5-2-4-13(16)10-14)18-15(20)6-9-19-8-3-7-17-19/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyFXLKJIWLVJPGAI-LBPRGKRZSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide
CID 100971737
propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 141411377
4-(3-fluorophenoxy)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]butanamide
CID 95777428
N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 120506795
N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 97087813
N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide
CID 95354401
4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 52520848
1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
CID 115905482
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide (CID 100662600) is N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide is C[C@@H](COc1cccc(F)c1)NC(=O)CCn1cccn1.
What is the InChIKey of N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is FXLKJIWLVJPGAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-12(11-21-14-5-2-4-13(16)10-14)18-15(20)6-9-19-8-3-7-17-19/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide?
N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 291.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 100662600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).