[1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite

C23H22FN5O3 — CID 143769955

IUPAC[1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite
SMILESCc1c(-c2ccc(C#N)c(O)c2)c(N)nn1Cc1ccc(C(=O)NCC2(OF)CC2)cc1
InChIInChI=1S/C23H22FN5O3/c1-14-20(17-6-7-18(11-25)19(30)10-17)21(26)28-29(14)12-15-2-4-16(5-3-15)22(31)27-13-23(32-24)8-9-23/h2-7,10,30H,8-9,12-13H2,1H3,(H2,26,28)(H,27,31)
InChIKeySMIPHUNLSBKUMP-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.23
Rot. Bonds7

About [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite

[1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite (PubChem CID 143769955) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite.

Molecular Properties

Compound Name[1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite
PubChem CID143769955
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name[1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite
SMILESCc1c(-c2ccc(C#N)c(O)c2)c(N)nn1Cc1ccc(C(=O)NCC2(OF)CC2)cc1
InChIInChI=1S/C23H22FN5O3/c1-14-20(17-6-7-18(11-25)19(30)10-17)21(26)28-29(14)12-15-2-4-16(5-3-15)22(31)27-13-23(32-24)8-9-23/h2-7,10,30H,8-9,12-13H2,1H3,(H2,26,28)(H,27,31)
InChIKeySMIPHUNLSBKUMP-UHFFFAOYSA-N
XLogP3.23
TPSA126.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite with MolForge

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Launch Full Analysis

Related Compounds

fluoro 4-[[3-cyano-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoate
CID 143770021
butane;4-[3,5-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-2-hydroxybenzonitrile;fluoro formate
CID 143769920
[4-[[4-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]carbamic acid
CID 68507122
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 33262857
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 131892543
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100587049
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
CID 55214651
6-[1-[[4-[(2,2-difluorocyclopropyl)methylcarbamoyl]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 174815933
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 127033831
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-hydroxyethyl)benzamide
CID 78816601
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylbenzamide
CID 17412268
2-chloro-4-[1-[[4-(1,1-dihydroxy-1,2-thiazolidin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]benzonitrile
CID 68505374

Frequently Asked Questions

What is the IUPAC name of [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite?
The IUPAC name of [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite (CID 143769955) is [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite.
What is the SMILES notation for [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite?
The canonical SMILES for [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite is Cc1c(-c2ccc(C#N)c(O)c2)c(N)nn1Cc1ccc(C(=O)NCC2(OF)CC2)cc1.
What is the InChIKey of [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite?
The InChIKey is SMIPHUNLSBKUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-14-20(17-6-7-18(11-25)19(30)10-17)21(26)28-29(14)12-15-2-4-16(5-3-15)22(31)27-13-23(32-24)8-9-23/h2-7,10,30H,8-9,12-13H2,1H3,(H2,26,28)(H,27,31).
What are the key properties of [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite?
[1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite has a molecular weight of 435.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[4-[[3-amino-4-(4-cyano-3-hydroxyphenyl)-5-methylpyrazol-1-yl]methyl]benzoyl]amino]methyl]cyclopropyl] hypofluorite is sourced from PubChem (CID 143769955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).