N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide

C27H34F2N4O2 — CID 11554844

IUPACN-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(CC(C)(C)C)ccc1-n1cccn1
InChIInChI=1S/C27H34F2N4O2/c1-18(34)32-24(13-20-11-22(28)14-23(29)12-20)26(35)17-30-16-21-10-19(15-27(2,3)4)6-7-25(21)33-9-5-8-31-33/h5-12,14,24,26,30,35H,13,15-17H2,1-4H3,(H,32,34)
InChIKeyNUZMKCATWQRAAK-UHFFFAOYSA-N
MW484.59 g/mol
LogP3.94
Rot. Bonds10

About N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide

N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide (PubChem CID 11554844) has the molecular formula C27H34F2N4O2 and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
PubChem CID11554844
Molecular FormulaC27H34F2N4O2
Molecular Weight484.59 g/mol
Exact Mass484.26
IUPAC NameN-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(CC(C)(C)C)ccc1-n1cccn1
InChIInChI=1S/C27H34F2N4O2/c1-18(34)32-24(13-20-11-22(28)14-23(29)12-20)26(35)17-30-16-21-10-19(15-27(2,3)4)6-7-25(21)33-9-5-8-31-33/h5-12,14,24,26,30,35H,13,15-17H2,1-4H3,(H,32,34)
InChIKeyNUZMKCATWQRAAK-UHFFFAOYSA-N
XLogP3.94
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide (CID 11554844) is N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(CC(C)(C)C)ccc1-n1cccn1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The InChIKey is NUZMKCATWQRAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N4O2/c1-18(34)32-24(13-20-11-22(28)14-23(29)12-20)26(35)17-30-16-21-10-19(15-27(2,3)4)6-7-25(21)33-9-5-8-31-33/h5-12,14,24,26,30,35H,13,15-17H2,1-4H3,(H,32,34).
What are the key properties of N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide has a molecular weight of 484.59 g/mol, XLogP of 3.94, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-pyrazol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 11554844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).