tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate

C16H19FN4O3 — CID 51090415

IUPACtert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
SMILESCn1cc(C(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cn1
InChIInChI=1S/C16H19FN4O3/c1-16(2,3)24-15(23)20-13-7-11(5-6-12(13)17)19-14(22)10-8-18-21(4)9-10/h5-9H,1-4H3,(H,19,22)(H,20,23)
InChIKeyUGSVFRZHRKCCQW-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate (PubChem CID 51090415) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
PubChem CID51090415
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Nametert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
SMILESCn1cc(C(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cn1
InChIInChI=1S/C16H19FN4O3/c1-16(2,3)24-15(23)20-13-7-11(5-6-12(13)17)19-14(22)10-8-18-21(4)9-10/h5-9H,1-4H3,(H,19,22)(H,20,23)
InChIKeyUGSVFRZHRKCCQW-UHFFFAOYSA-N
XLogP3.16
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-fluoro-5-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 55801691
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 166186575
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
CID 137353813
tert-butyl N-[2-fluoro-5-[(4-fluoro-2-iodobenzoyl)amino]phenyl]carbamate
CID 55967533
tert-butyl N-[2-fluoro-5-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]carbamate
CID 55767886
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-[4-fluoro-3-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamate
CID 137353546
tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 107240673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate (CID 51090415) is tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate is Cn1cc(C(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cn1.
What is the InChIKey of tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate?
The InChIKey is UGSVFRZHRKCCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-16(2,3)24-15(23)20-13-7-11(5-6-12(13)17)19-14(22)10-8-18-21(4)9-10/h5-9H,1-4H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate?
tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate has a molecular weight of 334.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 51090415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).