5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide

C17H15N3O2 — CID 167825291

IUPAC5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H15N3O2/c21-17(15-10-14(19-20-15)16-7-4-8-22-16)18-13-9-12(13)11-5-2-1-3-6-11/h1-8,10,12-13H,9H2,(H,18,21)(H,19,20)/t12-,13+/m0/s1
InChIKeyAVSXXPVDNPVLJI-QWHCGFSZSA-N
MW293.33 g/mol
LogP2.96
Rot. Bonds4

About 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide (PubChem CID 167825291) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide
PubChem CID167825291
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H15N3O2/c21-17(15-10-14(19-20-15)16-7-4-8-22-16)18-13-9-12(13)11-5-2-1-3-6-11/h1-8,10,12-13H,9H2,(H,18,21)(H,19,20)/t12-,13+/m0/s1
InChIKeyAVSXXPVDNPVLJI-QWHCGFSZSA-N
XLogP2.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide (CID 167825291) is 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide is O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AVSXXPVDNPVLJI-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(15-10-14(19-20-15)16-7-4-8-22-16)18-13-9-12(13)11-5-2-1-3-6-11/h1-8,10,12-13H,9H2,(H,18,21)(H,19,20)/t12-,13+/m0/s1.
What are the key properties of 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[(1R,2S)-2-phenylcyclopropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167825291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).