N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide

C25H29FN4O2 — CID 42818830

IUPACN-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)c1c(CN(CC2CCCO2)C(=O)c2ccc(F)cc2)c(-c2ccccc2)nn1C
InChIInChI=1S/C25H29FN4O2/c1-28(2)24-22(23(27-29(24)3)18-8-5-4-6-9-18)17-30(16-21-10-7-15-32-21)25(31)19-11-13-20(26)14-12-19/h4-6,8-9,11-14,21H,7,10,15-17H2,1-3H3
InChIKeyWKZKJDXDSJHYHX-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.11
Rot. Bonds7

About N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide

N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42818830) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID42818830
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(C)c1c(CN(CC2CCCO2)C(=O)c2ccc(F)cc2)c(-c2ccccc2)nn1C
InChIInChI=1S/C25H29FN4O2/c1-28(2)24-22(23(27-29(24)3)18-8-5-4-6-9-18)17-30(16-21-10-7-15-32-21)25(31)19-11-13-20(26)14-12-19/h4-6,8-9,11-14,21H,7,10,15-17H2,1-3H3
InChIKeyWKZKJDXDSJHYHX-UHFFFAOYSA-N
XLogP4.11
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93206867
3-fluoro-N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51069229
4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207843
2-fluoro-N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136074
N-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136423
4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93223098
N-[[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93135883
4-chloro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93222275
3-methoxy-N-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136451
1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 93136212
N-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 93136118
N-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93135862

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide (CID 42818830) is N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide is CN(C)c1c(CN(CC2CCCO2)C(=O)c2ccc(F)cc2)c(-c2ccccc2)nn1C.
What is the InChIKey of N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WKZKJDXDSJHYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-28(2)24-22(23(27-29(24)3)18-8-5-4-6-9-18)17-30(16-21-10-7-15-32-21)25(31)19-11-13-20(26)14-12-19/h4-6,8-9,11-14,21H,7,10,15-17H2,1-3H3.
What are the key properties of N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide?
N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42818830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).