tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate

C11H18FN3O2 — CID 151156006

IUPACtert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate
SMILESC[C@@H](Cn1cc(F)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H18FN3O2/c1-8(6-15-7-9(12)5-13-15)14-10(16)17-11(2,3)4/h5,7-8H,6H2,1-4H3,(H,14,16)/t8-/m0/s1
InChIKeyMZGHOKVZBQALMN-QMMMGPOBSA-N
MW243.28 g/mol
LogP1.94
Rot. Bonds3

About tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate (PubChem CID 151156006) has the molecular formula C11H18FN3O2 and a molecular weight of 243.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate
PubChem CID151156006
Molecular FormulaC11H18FN3O2
Molecular Weight243.28 g/mol
Exact Mass243.14
IUPAC Nametert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate
SMILESC[C@@H](Cn1cc(F)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H18FN3O2/c1-8(6-15-7-9(12)5-13-15)14-10(16)17-11(2,3)4/h5,7-8H,6H2,1-4H3,(H,14,16)/t8-/m0/s1
InChIKeyMZGHOKVZBQALMN-QMMMGPOBSA-N
XLogP1.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate
CID 70984316
tert-butyl (3-(4-amino-1H-pyrazol-1-yl)propyl)carbamate
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tert-butyl N-[2-amino-2-(1-methyl-1H-pyrazol-4-yl)ethyl]carbamate
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tert-butyl N-(2-pyrazol-1-ylethyl)carbamate
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tert-butyl [3-(1H-pyrazol-1-yl)propyl]carbamate
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tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate
CID 75505809
tert-butyl N-[(1-but-2-ynylpyrazol-4-yl)methyl]carbamate
CID 75508475
tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 99831339
tert-butyl (2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylate
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(2R,5R)-5-[(4-fluoropyrazol-1-yl)methyl]-2-methylpiperazine-1-carboxylic acid
CID 70980967
Tert-butyl 3-fluoro-4-(4-iodopyrazol-1-yl)pyrrolidine-1-carboxylate
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tert-Butyl (1-(trifluoromethyl)-1H-pyrazol-4-yl)carbamate
CID 99982837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate (CID 151156006) is tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate is C[C@@H](Cn1cc(F)cn1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate?
The InChIKey is MZGHOKVZBQALMN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18FN3O2/c1-8(6-15-7-9(12)5-13-15)14-10(16)17-11(2,3)4/h5,7-8H,6H2,1-4H3,(H,14,16)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate has a molecular weight of 243.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(4-fluoropyrazol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 151156006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).