N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide

C17H22N4O4 — CID 167880495

IUPACN-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(C)OCC(=O)N1CC(NC(=O)c2cn[nH]c2-c2ccco2)C1
InChIInChI=1S/C17H22N4O4/c1-3-11(2)25-10-15(22)21-8-12(9-21)19-17(23)13-7-18-20-16(13)14-5-4-6-24-14/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyGWRFRLKHCFIPHO-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.43
Rot. Bonds7

About N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide

N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 167880495) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID167880495
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(C)OCC(=O)N1CC(NC(=O)c2cn[nH]c2-c2ccco2)C1
InChIInChI=1S/C17H22N4O4/c1-3-11(2)25-10-15(22)21-8-12(9-21)19-17(23)13-7-18-20-16(13)14-5-4-6-24-14/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyGWRFRLKHCFIPHO-UHFFFAOYSA-N
XLogP1.43
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide
CID 167915834
5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 16613697
[(2S)-2-(4-chlorophenoxy)propyl] 5-(furan-2-yl)-1H-pyrazole-4-carboxylate
CID 167989239
N-cyclopropyl-5-(2-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 166264433
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
5-(furan-2-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95985082
N-cyclopropyl-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 66825404
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 17409577
5-(furan-2-yl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-3-carboxamide
CID 124841426
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484773
5-ethyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 74235471

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide (CID 167880495) is N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide is CCC(C)OCC(=O)N1CC(NC(=O)c2cn[nH]c2-c2ccco2)C1.
What is the InChIKey of N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is GWRFRLKHCFIPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-3-11(2)25-10-15(22)21-8-12(9-21)19-17(23)13-7-18-20-16(13)14-5-4-6-24-14/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,20)(H,19,23).
What are the key properties of N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide?
N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butan-2-yloxyacetyl)azetidin-3-yl]-5-(furan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167880495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).