1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one

C14H18N4O2 — CID 154768086

IUPAC1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESNc1cn[nH]c1C1CCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C14H18N4O2/c15-12-8-16-17-14(12)10-5-6-18(9-10)13(19)4-3-11-2-1-7-20-11/h1-2,7-8,10H,3-6,9,15H2,(H,16,17)
InChIKeyIPVKHCBEDACUBU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds4

About 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one

1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 154768086) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID154768086
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESNc1cn[nH]c1C1CCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C14H18N4O2/c15-12-8-16-17-14(12)10-5-6-18(9-10)13(19)4-3-11-2-1-7-20-11/h1-2,7-8,10H,3-6,9,15H2,(H,16,17)
InChIKeyIPVKHCBEDACUBU-UHFFFAOYSA-N
XLogP1.53
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one (CID 154768086) is 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one is Nc1cn[nH]c1C1CCN(C(=O)CCc2ccco2)C1.
What is the InChIKey of 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is IPVKHCBEDACUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-12-8-16-17-14(12)10-5-6-18(9-10)13(19)4-3-11-2-1-7-20-11/h1-2,7-8,10H,3-6,9,15H2,(H,16,17).
What are the key properties of 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 274.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 154768086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).