N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide

C13H20N4O2 — CID 82836260

IUPACN-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(NCC2CCCO2)cn1)NC1CC1
InChIInChI=1S/C13H20N4O2/c18-13(16-10-3-4-10)9-17-8-11(6-15-17)14-7-12-2-1-5-19-12/h6,8,10,12,14H,1-5,7,9H2,(H,16,18)
InChIKeyQLBAKDLAUSOAMO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.75
Rot. Bonds6

About N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide

N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide (PubChem CID 82836260) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide
PubChem CID82836260
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(NCC2CCCO2)cn1)NC1CC1
InChIInChI=1S/C13H20N4O2/c18-13(16-10-3-4-10)9-17-8-11(6-15-17)14-7-12-2-1-5-19-12/h6,8,10,12,14H,1-5,7,9H2,(H,16,18)
InChIKeyQLBAKDLAUSOAMO-UHFFFAOYSA-N
XLogP0.75
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide (CID 82836260) is N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide is O=C(Cn1cc(NCC2CCCO2)cn1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide?
The InChIKey is QLBAKDLAUSOAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(16-10-3-4-10)9-17-8-11(6-15-17)14-7-12-2-1-5-19-12/h6,8,10,12,14H,1-5,7,9H2,(H,16,18).
What are the key properties of N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide?
N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 82836260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).