N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide

C12H20N4O2 — CID 66256735

IUPACN-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccnn1C
InChIInChI=1S/C12H20N4O2/c1-3-5-13-10-8-18-7-9(10)12(17)15-11-4-6-14-16(11)2/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,15,17)
InChIKeyDPUOKRNXLZYPIH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.37
Rot. Bonds5

About N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide

N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256735) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256735
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccnn1C
InChIInChI=1S/C12H20N4O2/c1-3-5-13-10-8-18-7-9(10)12(17)15-11-4-6-14-16(11)2/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,15,17)
InChIKeyDPUOKRNXLZYPIH-UHFFFAOYSA-N
XLogP0.37
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide (CID 66256735) is N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1ccnn1C.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is DPUOKRNXLZYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-5-13-10-8-18-7-9(10)12(17)15-11-4-6-14-16(11)2/h4,6,9-10,13H,3,5,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).