tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate

C18H23FN4O3 — CID 171807216

IUPACtert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2[nH]nc(N)c2-c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O3/c1-18(2,3)26-17(24)23-8-9-25-13(10-23)15-14(16(20)22-21-15)11-4-6-12(19)7-5-11/h4-7,13H,8-10H2,1-3H3,(H3,20,21,22)
InChIKeyKKWBTYRRYSXTNF-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.11
Rot. Bonds2

About tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate

tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate (PubChem CID 171807216) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate
PubChem CID171807216
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Nametert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2[nH]nc(N)c2-c2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4O3/c1-18(2,3)26-17(24)23-8-9-25-13(10-23)15-14(16(20)22-21-15)11-4-6-12(19)7-5-11/h4-7,13H,8-10H2,1-3H3,(H3,20,21,22)
InChIKeyKKWBTYRRYSXTNF-UHFFFAOYSA-N
XLogP3.11
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-(3-amino-1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine-1-carboxylate
CID 67523040
1-[4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone
CID 67991960
4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine
CID 67991976
4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine
CID 67992015
(3S,5R)-2-(2,5-difluorophenyl)-5-(3-isocyano-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)oxan-3-amine
CID 88534372
tert-butyl N-[(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-yl]carbamate
CID 122493967
[3-[3-(2-ethoxypropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241497
tert-butyl 2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate
CID 141260778
Tert-butyl 2-[4-[5-(1-amino-6-imino-5-methyl-3-pyridinyl)-1-fluorosulfanyl-4-propan-2-ylpyrazol-3-yl]phenyl]morpholine-4-carboxylate
CID 156331534
ethyl N-[[4-(4-fluorophenyl)-5-(oxan-2-yl)-1H-pyrazol-3-yl]carbamothioyl]carbamate
CID 171806648
5-(oxan-2-yl)-4-(3,4,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 171806921
tert-butyl 2-[3-(ethoxycarbonylcarbamothioylamino)-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate (CID 171807216) is tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2[nH]nc(N)c2-c2ccc(F)cc2)C1.
What is the InChIKey of tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate?
The InChIKey is KKWBTYRRYSXTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-18(2,3)26-17(24)23-8-9-25-13(10-23)15-14(16(20)22-21-15)11-4-6-12(19)7-5-11/h4-7,13H,8-10H2,1-3H3,(H3,20,21,22).
What are the key properties of tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate?
tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-amino-4-(4-fluorophenyl)-1H-pyrazol-5-yl]morpholine-4-carboxylate is sourced from PubChem (CID 171807216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).