tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate

C17H22FN3O2 — CID 86775149

IUPACtert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
SMILESCCCc1c(NC(=O)OC(C)(C)C)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c1-5-6-15-14(20-16(22)23-17(2,3)4)11-19-21(15)13-9-7-12(18)8-10-13/h7-11H,5-6H2,1-4H3,(H,20,22)
InChIKeyPGPGBMCSYJZDEY-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.31
Rot. Bonds4

About tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate

tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate (PubChem CID 86775149) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
PubChem CID86775149
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Nametert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
SMILESCCCc1c(NC(=O)OC(C)(C)C)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c1-5-6-15-14(20-16(22)23-17(2,3)4)11-19-21(15)13-9-7-12(18)8-10-13/h7-11H,5-6H2,1-4H3,(H,20,22)
InChIKeyPGPGBMCSYJZDEY-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122091567
tert-butyl N-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 169213488
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 176658830
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262
tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate
CID 90215384
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
4-(bromomethyl)-1-(4-fluorophenyl)-5-propylpyrazole
CID 66436383
tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate
CID 169213375
3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089630
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 167852484
tert-butyl N-[2-[[(1-ethylpyrazol-4-yl)amino]methyl]-4-fluorophenyl]carbamate
CID 136558664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate (CID 86775149) is tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate is CCCc1c(NC(=O)OC(C)(C)C)cnn1-c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate?
The InChIKey is PGPGBMCSYJZDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-5-6-15-14(20-16(22)23-17(2,3)4)11-19-21(15)13-9-7-12(18)8-10-13/h7-11H,5-6H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate?
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate has a molecular weight of 319.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate is sourced from PubChem (CID 86775149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).