N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H20N4O — CID 51043240

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC2CC3C=CC2C3)c1-n1cccc1
InChIInChI=1S/C17H20N4O/c1-20-17(21-6-2-3-7-21)15(11-19-20)16(22)18-10-14-9-12-4-5-13(14)8-12/h2-7,11-14H,8-10H2,1H3,(H,18,22)
InChIKeyLVJSHOQINFJKPL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.15
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 51043240) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID51043240
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC2CC3C=CC2C3)c1-n1cccc1
InChIInChI=1S/C17H20N4O/c1-20-17(21-6-2-3-7-21)15(11-19-20)16(22)18-10-14-9-12-4-5-13(14)8-12/h2-7,11-14H,8-10H2,1H3,(H,18,22)
InChIKeyLVJSHOQINFJKPL-UHFFFAOYSA-N
XLogP2.15
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 100906182
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 94006778
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide
CID 51721297
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-5-carboxamide
CID 99794880
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86822466
N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 103772991
4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)acetamide
CID 56762560
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide
CID 70719625
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 51043240) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCC2CC3C=CC2C3)c1-n1cccc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is LVJSHOQINFJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-17(21-6-2-3-7-21)15(11-19-20)16(22)18-10-14-9-12-4-5-13(14)8-12/h2-7,11-14H,8-10H2,1H3,(H,18,22).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 51043240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).