2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide

C13H19N3O — CID 91819388

IUPAC2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide
SMILESCn1nc2c(c1CNC(=O)CC1CC1)CCC2
InChIInChI=1S/C13H19N3O/c1-16-12(10-3-2-4-11(10)15-16)8-14-13(17)7-9-5-6-9/h9H,2-8H2,1H3,(H,14,17)
InChIKeyJTBGHMFSRCWKRD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.33
Rot. Bonds4

About 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide

2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide (PubChem CID 91819388) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide
PubChem CID91819388
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide
SMILESCn1nc2c(c1CNC(=O)CC1CC1)CCC2
InChIInChI=1S/C13H19N3O/c1-16-12(10-3-2-4-11(10)15-16)8-14-13(17)7-9-5-6-9/h9H,2-8H2,1H3,(H,14,17)
InChIKeyJTBGHMFSRCWKRD-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide (CID 91819388) is 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide is Cn1nc2c(c1CNC(=O)CC1CC1)CCC2.
What is the InChIKey of 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide?
The InChIKey is JTBGHMFSRCWKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-12(10-3-2-4-11(10)15-16)8-14-13(17)7-9-5-6-9/h9H,2-8H2,1H3,(H,14,17).
What are the key properties of 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide?
2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 91819388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).