5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide

C16H17N5O3 — CID 90597597

IUPAC5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H17N5O3/c22-16(14-8-13(19-20-14)15-2-1-5-24-15)18-11-9-17-21(10-11)12-3-6-23-7-4-12/h1-2,5,8-10,12H,3-4,6-7H2,(H,18,22)(H,19,20)
InChIKeyJVPBEGOQNRYFPI-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.47
Rot. Bonds4

About 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 90597597) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID90597597
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H17N5O3/c22-16(14-8-13(19-20-14)15-2-1-5-24-15)18-11-9-17-21(10-11)12-3-6-23-7-4-12/h1-2,5,8-10,12H,3-4,6-7H2,(H,18,22)(H,19,20)
InChIKeyJVPBEGOQNRYFPI-UHFFFAOYSA-N
XLogP2.47
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide (CID 90597597) is 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1cnn(C2CCOCC2)c1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is JVPBEGOQNRYFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-16(14-8-13(19-20-14)15-2-1-5-24-15)18-11-9-17-21(10-11)12-3-6-23-7-4-12/h1-2,5,8-10,12H,3-4,6-7H2,(H,18,22)(H,19,20).
What are the key properties of 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90597597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).