N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H21N3O2 — CID 78880532

IUPACN-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H21N3O2/c19-15(14-12-2-1-3-13(12)16-17-14)18(11-4-5-11)8-10-6-7-20-9-10/h10-11H,1-9H2,(H,16,17)
InChIKeyRAJYCWYOLCAOAU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.54
Rot. Bonds4

About N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 78880532) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID78880532
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H21N3O2/c19-15(14-12-2-1-3-13(12)16-17-14)18(11-4-5-11)8-10-6-7-20-9-10/h10-11H,1-9H2,(H,16,17)
InChIKeyRAJYCWYOLCAOAU-UHFFFAOYSA-N
XLogP1.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 78880532) is N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(c1n[nH]c2c1CCC2)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RAJYCWYOLCAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(14-12-2-1-3-13(12)16-17-14)18(11-4-5-11)8-10-6-7-20-9-10/h10-11H,1-9H2,(H,16,17).
What are the key properties of N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(oxolan-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 78880532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).