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

C17H19N5O3 — CID 129355510

IUPAC5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H19N5O3/c23-17(15-8-14(20-21-15)16-5-3-7-25-16)19-12-9-18-22(10-12)11-13-4-1-2-6-24-13/h3,5,7-10,13H,1-2,4,6,11H2,(H,19,23)(H,20,21)/t13-/m0/s1
InChIKeyJNSPJGPEAARZMV-ZDUSSCGKSA-N
MW341.37 g/mol
LogP2.69
Rot. Bonds5

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

5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 129355510) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID129355510
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H19N5O3/c23-17(15-8-14(20-21-15)16-5-3-7-25-16)19-12-9-18-22(10-12)11-13-4-1-2-6-24-13/h3,5,7-10,13H,1-2,4,6,11H2,(H,19,23)(H,20,21)/t13-/m0/s1
InChIKeyJNSPJGPEAARZMV-ZDUSSCGKSA-N
XLogP2.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 121016949
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 119099714
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
5-(furan-2-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 90597597
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514082
5-(furan-2-yl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1H-pyrazole-3-carboxamide
CID 94020822
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514083
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
CID 129355829
3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355197
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide (CID 129355510) is 5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is JNSPJGPEAARZMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-17(15-8-14(20-21-15)16-5-3-7-25-16)19-12-9-18-22(10-12)11-13-4-1-2-6-24-13/h3,5,7-10,13H,1-2,4,6,11H2,(H,19,23)(H,20,21)/t13-/m0/s1.
What are the key properties of 5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.69, 5 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-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 129355510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).