N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide

C13H16N4O3 — CID 47423183

IUPACN-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCc1cc(NC(=O)C(C)NC(=O)c2ccco2)n[nH]1
InChIInChI=1S/C13H16N4O3/c1-3-9-7-11(17-16-9)15-12(18)8(2)14-13(19)10-5-4-6-20-10/h4-8H,3H2,1-2H3,(H,14,19)(H2,15,16,17,18)
InChIKeySTAGVHMTSVEWDL-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.32
Rot. Bonds5

About N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 47423183) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID47423183
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCc1cc(NC(=O)C(C)NC(=O)c2ccco2)n[nH]1
InChIInChI=1S/C13H16N4O3/c1-3-9-7-11(17-16-9)15-12(18)8(2)14-13(19)10-5-4-6-20-10/h4-8H,3H2,1-2H3,(H,14,19)(H2,15,16,17,18)
InChIKeySTAGVHMTSVEWDL-UHFFFAOYSA-N
XLogP1.32
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47289682
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 78810785
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propyl]furan-2-carboxamide
CID 115619809
N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
CID 146098608
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
CID 104617946
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 35808153

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 47423183) is N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide is CCc1cc(NC(=O)C(C)NC(=O)c2ccco2)n[nH]1.
What is the InChIKey of N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is STAGVHMTSVEWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-9-7-11(17-16-9)15-12(18)8(2)14-13(19)10-5-4-6-20-10/h4-8H,3H2,1-2H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-ethyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 47423183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).