N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide

C16H20FN3O2 — CID 125170397

IUPACN-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](C)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H20FN3O2/c1-11(19-15(21)16(2,3)22-4)12-9-18-20(10-12)14-8-6-5-7-13(14)17/h5-11H,1-4H3,(H,19,21)/t11-/m0/s1
InChIKeyHNUFPYUKUSIZKA-NSHDSACASA-N
MW305.35 g/mol
LogP2.61
Rot. Bonds5

About N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide

N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide (PubChem CID 125170397) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide
PubChem CID125170397
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@@H](C)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C16H20FN3O2/c1-11(19-15(21)16(2,3)22-4)12-9-18-20(10-12)14-8-6-5-7-13(14)17/h5-11H,1-4H3,(H,19,21)/t11-/m0/s1
InChIKeyHNUFPYUKUSIZKA-NSHDSACASA-N
XLogP2.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
CID 122570470
2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 125176662
2-(cyclopropylmethylsulfanyl)-N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 126438730
1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 125441973
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 125447213
1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125439921
1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 75526443
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 113344954
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
CID 119329634
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
2-[1-(2-hydroxyphenyl)pyrazol-4-yl]propanoic acid
CID 105490532

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide (CID 125170397) is N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)N[C@@H](C)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide?
The InChIKey is HNUFPYUKUSIZKA-NSHDSACASA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-11(19-15(21)16(2,3)22-4)12-9-18-20(10-12)14-8-6-5-7-13(14)17/h5-11H,1-4H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide?
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide has a molecular weight of 305.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 125170397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).