tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate

C17H20FN3O2 — CID 90215384

IUPACtert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(-c2cccc(F)c2)c1C1CC1
InChIInChI=1S/C17H20FN3O2/c1-17(2,3)23-16(22)20-14-10-19-21(15(14)11-7-8-11)13-6-4-5-12(18)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,20,22)
InChIKeyQQSKOLJBWGAJLJ-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate

tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate (PubChem CID 90215384) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate
PubChem CID90215384
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Nametert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(-c2cccc(F)c2)c1C1CC1
InChIInChI=1S/C17H20FN3O2/c1-17(2,3)23-16(22)20-14-10-19-21(15(14)11-7-8-11)13-6-4-5-12(18)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,20,22)
InChIKeyQQSKOLJBWGAJLJ-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-cyclopropyl-1-pyridin-3-ylpyrazol-4-yl)carbamate
CID 169213375
tert-butyl 4-[4-[(4-bromophenyl)carbamoyl]-1-(3-fluorophenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281415
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
CID 86775149
tert-butyl 4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281370
tert-butyl 4-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281378
tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
CID 90960498
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053336
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924163
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053338
N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053351
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053366

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate (CID 90215384) is tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cnn(-c2cccc(F)c2)c1C1CC1.
What is the InChIKey of tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate?
The InChIKey is QQSKOLJBWGAJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-17(2,3)23-16(22)20-14-10-19-21(15(14)11-7-8-11)13-6-4-5-12(18)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate?
tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate has a molecular weight of 317.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 90215384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).