5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide

C16H21N3O4 — CID 94020822

IUPAC5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCOC[C@@H]1CCCO1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H21N3O4/c20-16(14-10-13(18-19-14)15-5-2-9-23-15)17-6-3-7-21-11-12-4-1-8-22-12/h2,5,9-10,12H,1,3-4,6-8,11H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyRRHXHVMRQKISSX-LBPRGKRZSA-N
MW319.36 g/mol
LogP1.99
Rot. Bonds8

About 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide (PubChem CID 94020822) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide
PubChem CID94020822
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCOC[C@@H]1CCCO1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H21N3O4/c20-16(14-10-13(18-19-14)15-5-2-9-23-15)17-6-3-7-21-11-12-4-1-8-22-12/h2,5,9-10,12H,1,3-4,6-8,11H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyRRHXHVMRQKISSX-LBPRGKRZSA-N
XLogP1.99
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 129355510
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-(2H-indazol-3-yl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 96534569
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875
5-(furan-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 86984728
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide (CID 94020822) is 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide is O=C(NCCCOC[C@@H]1CCCO1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RRHXHVMRQKISSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-16(14-10-13(18-19-14)15-5-2-9-23-15)17-6-3-7-21-11-12-4-1-8-22-12/h2,5,9-10,12H,1,3-4,6-8,11H2,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 94020822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).