tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate

C10H16FN3O2 — CID 86703156

IUPACtert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate
SMILESCc1nn(C)c(NC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C10H16FN3O2/c1-6-7(11)8(14(5)13-6)12-9(15)16-10(2,3)4/h1-5H3,(H,12,15)
InChIKeyXPKBHYUUXUKOPT-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.21
Rot. Bonds1

About tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate

tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate (PubChem CID 86703156) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate
PubChem CID86703156
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Nametert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate
SMILESCc1nn(C)c(NC(=O)OC(C)(C)C)c1F
InChIInChI=1S/C10H16FN3O2/c1-6-7(11)8(14(5)13-6)12-9(15)16-10(2,3)4/h1-5H3,(H,12,15)
InChIKeyXPKBHYUUXUKOPT-UHFFFAOYSA-N
XLogP2.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-1-en-2-yl N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamate
CID 66728821
tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamate
CID 169179931
tert-butyl N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]carbamate
CID 177766172
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
CID 178710870
2,2,2-trifluoroethyl N-(1,3-dimethyl-1H-pyrazol-5-yl)carbamate
CID 45792150
tert-Butyl N-[4-amino-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbamate
CID 125456035
tert-butyl N-[4-(fluorosulfonyl)-1,3-dimethyl-1H-pyrazol-5-yl]carbamate
CID 165924922
tert-butyl N-(1,5-dimethylpyrazol-3-yl)carbamate
CID 70641731
(2,5-dimethyl-2H-pyrazol-3-yl)-carbamic acid tert-butyl ester
CID 107860321
tert-butyl N-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbamate
CID 130831051
Tert-butyl 5-amino-4-iodo-3-methylpyrazole-1-carboxylate
CID 166527324
Tert-butyl 4-bromo-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-1-carboxylate
CID 166857780

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate (CID 86703156) is tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate is Cc1nn(C)c(NC(=O)OC(C)(C)C)c1F.
What is the InChIKey of tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate?
The InChIKey is XPKBHYUUXUKOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-6-7(11)8(14(5)13-6)12-9(15)16-10(2,3)4/h1-5H3,(H,12,15).
What are the key properties of tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate?
tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate has a molecular weight of 229.25 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-1,3-dimethylpyrazol-5-yl)carbamate is sourced from PubChem (CID 86703156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).