N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide

C19H27N5O2 — CID 18558083

IUPACN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCN2CCNC2=O)C[C@@H]2C[C@H]3C=C[C@H]2C3)n(C)n1
InChIInChI=1S/C19H27N5O2/c1-13-9-17(22(2)21-13)18(25)24(8-7-23-6-5-20-19(23)26)12-16-11-14-3-4-15(16)10-14/h3-4,9,14-16H,5-8,10-12H2,1-2H3,(H,20,26)/t14-,15-,16-/m0/s1
InChIKeyLOHHCDOIHQCFRI-JYJNAYRXSA-N
MW357.46 g/mol
LogP1.41
Rot. Bonds6

About N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 18558083) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide
PubChem CID18558083
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCN2CCNC2=O)C[C@@H]2C[C@H]3C=C[C@H]2C3)n(C)n1
InChIInChI=1S/C19H27N5O2/c1-13-9-17(22(2)21-13)18(25)24(8-7-23-6-5-20-19(23)26)12-16-11-14-3-4-15(16)10-14/h3-4,9,14-16H,5-8,10-12H2,1-2H3,(H,20,26)/t14-,15-,16-/m0/s1
InChIKeyLOHHCDOIHQCFRI-JYJNAYRXSA-N
XLogP1.41
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide (CID 18558083) is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(CCN2CCNC2=O)C[C@@H]2C[C@H]3C=C[C@H]2C3)n(C)n1.
What is the InChIKey of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is LOHHCDOIHQCFRI-JYJNAYRXSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-9-17(22(2)21-13)18(25)24(8-7-23-6-5-20-19(23)26)12-16-11-14-3-4-15(16)10-14/h3-4,9,14-16H,5-8,10-12H2,1-2H3,(H,20,26)/t14-,15-,16-/m0/s1.
What are the key properties of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide?
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,5-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 18558083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).