N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide

C11H12N4O3 — CID 61393596

IUPACN-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccn[nH]1
InChIInChI=1S/C11H12N4O3/c16-10(14-9-3-6-13-15-9)4-5-12-11(17)8-2-1-7-18-8/h1-3,6-7H,4-5H2,(H,12,17)(H2,13,14,15,16)
InChIKeyYILAOSOINXRMAM-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.76
Rot. Bonds5

About N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide

N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide (PubChem CID 61393596) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide
PubChem CID61393596
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccn[nH]1
InChIInChI=1S/C11H12N4O3/c16-10(14-9-3-6-13-15-9)4-5-12-11(17)8-2-1-7-18-8/h1-3,6-7H,4-5H2,(H,12,17)(H2,13,14,15,16)
InChIKeyYILAOSOINXRMAM-UHFFFAOYSA-N
XLogP0.76
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(1H-pyrazol-5-ylamino)ethyl]furan-2-carboxamide
CID 61393852
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propyl]furan-2-carboxamide
CID 115619809
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 104817180
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 62834246
N-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 9451738
N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
CID 106385845

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide (CID 61393596) is N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccn[nH]1.
What is the InChIKey of N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide?
The InChIKey is YILAOSOINXRMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-10(14-9-3-6-13-15-9)4-5-12-11(17)8-2-1-7-18-8/h1-3,6-7H,4-5H2,(H,12,17)(H2,13,14,15,16).
What are the key properties of N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide?
N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 61393596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).