N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

C17H20N4O2 — CID 136570613

IUPACN,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccccc1N(C)C(=O)c1c2c(nn1C)CCC2
InChIInChI=1S/C17H20N4O2/c1-18-16(22)12-7-4-5-10-14(12)20(2)17(23)15-11-8-6-9-13(11)19-21(15)3/h4-5,7,10H,6,8-9H2,1-3H3,(H,18,22)
InChIKeyAOMKWXKPSABDBE-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.54
Rot. Bonds3

About N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide (PubChem CID 136570613) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
PubChem CID136570613
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccccc1N(C)C(=O)c1c2c(nn1C)CCC2
InChIInChI=1S/C17H20N4O2/c1-18-16(22)12-7-4-5-10-14(12)20(2)17(23)15-11-8-6-9-13(11)19-21(15)3/h4-5,7,10H,6,8-9H2,1-3H3,(H,18,22)
InChIKeyAOMKWXKPSABDBE-UHFFFAOYSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide (CID 136570613) is N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide is CNC(=O)c1ccccc1N(C)C(=O)c1c2c(nn1C)CCC2.
What is the InChIKey of N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The InChIKey is AOMKWXKPSABDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-18-16(22)12-7-4-5-10-14(12)20(2)17(23)15-11-8-6-9-13(11)19-21(15)3/h4-5,7,10H,6,8-9H2,1-3H3,(H,18,22).
What are the key properties of N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 136570613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).