N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide

C13H15N3O3 — CID 129472298

IUPACN-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1cn[nH]c1[C@@H]1CCOC1
InChIInChI=1S/C13H15N3O3/c17-13(14-6-10-2-1-4-19-10)11-7-15-16-12(11)9-3-5-18-8-9/h1-2,4,7,9H,3,5-6,8H2,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyNUEUGEUSOHXWIB-SECBINFHSA-N
MW261.28 g/mol
LogP1.44
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide

N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129472298) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID129472298
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1cn[nH]c1[C@@H]1CCOC1
InChIInChI=1S/C13H15N3O3/c17-13(14-6-10-2-1-4-19-10)11-7-15-16-12(11)9-3-5-18-8-9/h1-2,4,7,9H,3,5-6,8H2,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyNUEUGEUSOHXWIB-SECBINFHSA-N
XLogP1.44
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472353
N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472950
N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129338521
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 128968081
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129000622
5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129474098
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 167981131
N-(1-methylsulfanylbutan-2-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129001193
5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 129472917
4-amino-5-cyclopropyl-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62075964
N-[(2R)-1-(4-methylphenyl)sulfanylpropan-2-yl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 125138417
N-(furan-2-ylmethyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730113

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide (CID 129472298) is N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide is O=C(NCc1ccco1)c1cn[nH]c1[C@@H]1CCOC1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is NUEUGEUSOHXWIB-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13(14-6-10-2-1-4-19-10)11-7-15-16-12(11)9-3-5-18-8-9/h1-2,4,7,9H,3,5-6,8H2,(H,14,17)(H,15,16)/t9-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129472298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).