N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide

C21H21F2N3O2 — CID 118560547

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide
SMILESCO[C@@H](C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C21H21F2N3O2/c1-14(28-2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27)/t14-/m0/s1
InChIKeyIEMPDAQXVGNUFT-AWEZNQCLSA-N
MW385.41 g/mol
LogP4.10
Rot. Bonds7

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide (PubChem CID 118560547) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide
PubChem CID118560547
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide
SMILESCO[C@@H](C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C21H21F2N3O2/c1-14(28-2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27)/t14-/m0/s1
InChIKeyIEMPDAQXVGNUFT-AWEZNQCLSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(3-fluorooxetan-3-yl)phenyl]acetamide
CID 118560458
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(oxetan-3-yloxy)phenyl]acetamide
CID 118560543
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560613
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(3-methyloxetan-3-yl)phenyl]acetamide
CID 126740652
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]acetamide
CID 126740697
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide (CID 118560547) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide is CO[C@@H](C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide?
The InChIKey is IEMPDAQXVGNUFT-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-14(28-2)17-6-3-15(4-7-17)12-21(27)24-20-9-10-26(25-20)13-16-5-8-18(22)19(23)11-16/h3-11,14H,12-13H2,1-2H3,(H,24,25,27)/t14-/m0/s1.
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide has a molecular weight of 385.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(1S)-1-methoxyethyl]phenyl]acetamide is sourced from PubChem (CID 118560547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).