tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate

C22H23FN4O3 — CID 166186575

IUPACtert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
SMILESCc1ccnn1-c1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1
InChIInChI=1S/C22H23FN4O3/c1-14-11-12-24-27(14)17-8-5-15(6-9-17)20(28)26-19-13-16(7-10-18(19)23)25-21(29)30-22(2,3)4/h5-13H,1-4H3,(H,25,29)(H,26,28)
InChIKeyBQMZHERHNLMSMT-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.92
Rot. Bonds4

About tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate

tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate (PubChem CID 166186575) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
PubChem CID166186575
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Nametert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
SMILESCc1ccnn1-c1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1
InChIInChI=1S/C22H23FN4O3/c1-14-11-12-24-27(14)17-8-5-15(6-9-17)20(28)26-19-13-16(7-10-18(19)23)25-21(29)30-22(2,3)4/h5-13H,1-4H3,(H,25,29)(H,26,28)
InChIKeyBQMZHERHNLMSMT-UHFFFAOYSA-N
XLogP4.92
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 55801691
tert-butyl N-[3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-methylphenyl]carbamate
CID 71910266
tert-butyl N-[4-fluoro-3-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamate
CID 137353546
tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate
CID 86930596
tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
CID 137353813
tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 51090415
tert-butyl N-[3-[(4-ethoxy-3-methylbenzoyl)amino]-4-fluorophenyl]carbamate
CID 86938109
N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 55608701
tert-butyl N-[4-fluoro-3-[(3-methylsulfonylbenzoyl)amino]phenyl]carbamate
CID 137353839
N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9269655
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate (CID 166186575) is tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate is Cc1ccnn1-c1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1.
What is the InChIKey of tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate?
The InChIKey is BQMZHERHNLMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-11-12-24-27(14)17-8-5-15(6-9-17)20(28)26-19-13-16(7-10-18(19)23)25-21(29)30-22(2,3)4/h5-13H,1-4H3,(H,25,29)(H,26,28).
What are the key properties of tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate?
tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate has a molecular weight of 410.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 166186575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).