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

C12H17N3O — CID 91819369

IUPACN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide
SMILESCn1nc2c(c1CNC(=O)C1CC1)CCC2
InChIInChI=1S/C12H17N3O/c1-15-11(7-13-12(16)8-5-6-8)9-3-2-4-10(9)14-15/h8H,2-7H2,1H3,(H,13,16)
InChIKeyZOWWSQRNHFJLJG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.94
Rot. Bonds3

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

N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 91819369) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide
PubChem CID91819369
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide
SMILESCn1nc2c(c1CNC(=O)C1CC1)CCC2
InChIInChI=1S/C12H17N3O/c1-15-11(7-13-12(16)8-5-6-8)9-3-2-4-10(9)14-15/h8H,2-7H2,1H3,(H,13,16)
InChIKeyZOWWSQRNHFJLJG-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide (CID 91819369) is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide is Cn1nc2c(c1CNC(=O)C1CC1)CCC2.
What is the InChIKey of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is ZOWWSQRNHFJLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-11(7-13-12(16)8-5-6-8)9-3-2-4-10(9)14-15/h8H,2-7H2,1H3,(H,13,16).
What are the key properties of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide?
N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 91819369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).